SCHEMBL168272

SCHEMBL168272

CCCCc1ccc(C)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.56
CA1 P00915 1/20 0.56
CYP1A2 P05177 1/20 0.54
CYP2A6 P11509 1/20 0.54
TAAR1 Q96RJ0 1/20 0.54
ALDH1A1 P00352 2/20 0.54
HSD17B10 Q99714 2/20 0.54
HPGD P15428 1/20 0.54
ESR1 P03372 2/20 0.52
ADRA2A P08913 2/20 0.52
ADORA3 P0DMS8 2/20 0.52
TACR2 P21452 2/20 0.52
SLC6A2 P23975 2/20 0.52
SLC6A4 P31645 2/20 0.52
SLC6A3 Q01959 2/20 0.52
KDM4E B2RXH2 1/20 0.52
LMNA P02545 1/20 0.52
SHBG P04278 1/20 0.52
TP53 P04637 1/20 0.52
CYP3A4 P08684 1/20 0.52

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
P-Xylene SCHEMBL9064447 1.00 CA2 (0.56) CA2CA1CYP1A2CYP2A6TAAR1
Ammonia Solution, Strong SCHEMBL9428103 0.97 CA2 (0.54) CA2CA1CYP1A2CYP2A6TAAR1
SCHEMBL365821 0.97 CA2 (0.54) CA2CA1CYP1A2CYP2A6TAAR1
SCHEMBL6545940 0.93 CA2 (0.50) CA2CA1CYP1A2CYP2A6TAAR1
SCHEMBL2492800 0.93 RARB (0.58) CA2CA1CYP1A2CYP2A6TAAR1
SCHEMBL392911 0.92 ESR1 (0.61) CA2CYP1A2CYP2A6TAAR1ALDH1A1
SCHEMBL80498 0.90 ESR1 (0.65) CA2ALDH1A1HSD17B10ESR1ADRA2A
SCHEMBL10762522 0.90 ESR1 (0.65) CA2ALDH1A1HSD17B10ESR1ADRA2A
SCHEMBL168031 0.90 ESR1 (0.65) CA2ALDH1A1HSD17B10ESR1ADRA2A
SCHEMBL167114 0.90 ESR1 (0.65) CA2ALDH1A1HSD17B10ESR1ADRA2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Appears in 2122 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12441964-B2 Cleaning agent composition and cleaning method NISSAN CHEMICAL CORPORATION (JP) 2025-10-14 US claimed
CN-119954643-A Method for preparing polyesteramide monomer and method for removing DMAP 连云港邃铸科技有限公司 2025-05-09 CN claimed
CN-119034414-B Separation and recovery method of hydrogen chloride in chlorocyanobenzene production tail gas 江苏维尤纳特精细化工有限公司 2025-04-18 CN claimed
CN-119725415-A Negative electrode material, preparation method thereof and lithium ion battery 贝特瑞新材料集团股份有限公司 2025-03-28 CN claimed
CN-119034414-A Separation and recovery method of hydrogen chloride in chlorocyanobenzene production tail gas 江苏维尤纳特精细化工有限公司 2024-11-29 CN claimed
CN-118994687-A Ultrathin phase-change insulating composite film and preparation method thereof 深圳联腾达科技有限公司 2024-11-22 CN claimed
CN-118271331-A Gelsemin derivatives, synthesis method and application thereof in inhibiting tumor cell proliferation 赣江中药创新中心 2024-07-02 CN claimed
CN-118126615-A Hydrophobic oleophobic coating and preparation method and application thereof 广州大学 2024-06-04 CN claimed
CN-118026836-A Preparation method of 4-tert-butylcyclohexyl acetic acid or ester thereof 中国科学技术大学 2024-05-14 CN claimed
CN-115785542-B Resin composition, circuit material, and preparation method and application thereof 广东生益科技股份有限公司 2024-04-30 CN claimed
US-5349007-A With olefin polymers POLYPLASTICS CO., LTD. (JP) 1994-09-20 US claimed
US-5298660-A Compound containing an assymetrical carbon atom SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1994-03-29 US claimed
EP-0508307-A2 Optically active secondary amine compound; process for producing optically active secondary amine compound and process for producing optically active carboxylic acid by using said compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-10-14 EP claimed
EP-0192492-B1 PEPTIDES CONTAINING AN ALIPHATIC-AROMATIC KETONE SIDE CHAIN THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1992-01-02 EP claimed
US-5073655-A Alkylation of aromatic hydrocarbon with aromatic alklating hal ide, alcohol or olefin, a mixed oxide of silica or germania wi th alumina, boria, iron oxide or gallium oxide MOBIL OIL CORP. (US) 1991-12-17 US claimed
EP-0257866-B1 PROCESS FOR PRODUCING 2,5-DICHLOROTOLUENE KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1990-03-07 EP claimed
US-4681699-A Bisazo dyes and their use in liquid crystalline materials BASF AKTIENGESELLSCHAFT (DE) 1987-07-21 US claimed
EP-0070393-B1 PROCESS FOR THE PREPARATION OF AROMATIC MONOCARBOXYLIC ACIDS HÜLS TROISDORF AKTIENGESELLSCHAFT (DE) 1985-05-29 EP claimed
US-4249608-A ADDING AS BACTERICIDE BENZENE, TOLUENE, XYLENE OR AN ALKYL-SUBSTITUTED AROMATIC HYDROCARBON; AGING RESISTANCE TEXACO INC. (US) 1981-02-10 US claimed
US-4079175-A CATALYST COMPRISING REFORMED TITANIUM TRICHLORIDE AND ORGANOALUMINUM COMPOUND TOYO STAUFFER CHEMICAL CO., LTD. (JA) 1978-03-14 US claimed