SCHEMBL496557

SCHEMBL496557

CC=C(c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
CYP19A1 P11511 2/20 0.44
CYP11B2 P19099 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MCOLN3 Q8TDD5 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
CES2 O00748 3/20 0.43
CES1 P23141 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
TSHR P16473 2/20 0.43
DAO P14920 1/20 0.43
NAPRT Q6XQN6 1/20 0.43
PTGS2 P35354 1/20 0.42
MAPK1 P28482 1/20 0.42
ESR1 P03372 1/20 0.41

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
Water SCHEMBL19100116 0.97 ALDH1A1 (0.43) ALDH1A1CYP19A1CYP11B2CYP1A2CYP2C9
Phosphine SCHEMBL28070707 0.97 ALDH1A1 (0.43) ALDH1A1CYP19A1CYP11B2CYP1A2CYP2C9
SCHEMBL14200441 0.85 CYP1B1 (0.44) ALDH1A1CYP1A2CYP2C9CYP2C19CES2
SCHEMBL14199949 0.85 CES2 (0.56) ALDH1A1CYP1A2NPSR1L3MBTL1CES2
SCHEMBL5234410 0.85 PDE4A (0.37) ALDH1A1CYP19A1CYP11B2CYP1A2CYP2C9
SCHEMBL14199697 0.85 TPMT (0.44) ALDH1A1CYP19A1CYP11B2CYP1A2CYP2C9
Sulfamide SCHEMBL28405068 0.85 NPSR1 (0.50) ALDH1A1CYP1A2CYP2C9CYP2C19NPSR1
SCHEMBL5234415 0.85 PDE4A (0.37) ALDH1A1CYP19A1CYP11B2CYP1A2CYP2C9
SCHEMBL10994777 0.85 CYP1B1 (0.44) ALDH1A1CYP1A2CYP2C9CYP2C19CES2
SCHEMBL27744506 0.85 CYP1B1 (0.44) ALDH1A1CYP19A1CYP1A2CYP2C9CYP2C19

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

Claimed or disclosed in 956 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119775916-A Preparation method of light-stripping residue-free sticker 东莞当纳利印刷有限公司 2025-04-08 CN claimed
CN-118271578-A Polymer with phosphonic acid structure in side chain, synthesis method and application thereof in high-temperature proton exchange membrane fuel cell 中国科学院山西煤炭化学研究所 2024-07-02 CN claimed
CN-116199570-B Preparation method of 2, 7-dimethyl-2, 4, 6-octatriene-1, 8-dialdehyde 万华化学集团股份有限公司 2024-05-03 CN claimed
CN-115279874-B Grease composition 出光兴产株式会社 2024-02-13 CN claimed
CN-115279875-B Grease composition 出光兴产株式会社 2024-01-12 CN claimed
CN-113490734-B Grease composition 出光兴产株式会社 2023-08-01 CN claimed
CN-113490733-B Grease composition, and method and device for lubricating sliding mechanism using same 出光兴产株式会社 2023-07-28 CN claimed
CN-113508171-B Grease composition 出光兴产株式会社 2023-06-06 CN claimed
CN-116199570-A Preparation method of 2, 7-dimethyl-2, 4, 6-octatriene-1, 8-dialdehyde 万华化学集团股份有限公司 2023-06-02 CN claimed
CN-113348234-B Grease composition 出光兴产株式会社 2023-03-21 CN claimed
CN-101816828-A Method for rapidly degrading decabromodiphenyl oxide in organic series by nano Pd/C catalyst UNIV SOUTH CHINA TECH 2010-09-01 CN claimed
CN-1744892-A Breast cancer resistance protein (BCRP) inhibitor YAKULT HONSHA KK (JP) 2006-03-08 CN claimed
US-6767976-B2 POLYMERIZING METHACRYLIC ESTER OR ACRYLIC ESTER ANIONICALLY, USING A POLYMERIZATION INITIATOR COMPRISING ADDITION REACTION PRODUCT OF CONJUGATED DIENE COMPOUND AND ORGANIC ALKALI METAL COMPOUND AND TERTIARY ORGANOALUMINUM COMPOUND KURARAY CO., LTD. (JP) 2004-07-27 US claimed
EP-0055562-B1 CEPHALOSPORIN DERIVATIVES ICI PHARMA (FR) 1986-02-12 EP claimed
EP-0055099-B1 PENICILLIN DERIVATIVES ICI PHARMA (FR) 1984-10-24 EP claimed
EP-0075434-A2 Cephalosporins, their preparation and their pharmaceutical compositions ICI PHARMA (FR) 1983-03-30 EP claimed
EP-0072608-A2 Process for the preparation of cephalosporin derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-02-23 EP claimed
EP-0071370-A2 Cephalosporin derivatives, process for their preparation and pharmaceutical compositions containing them ICI PHARMA (FR) 1983-02-09 EP claimed
EP-0055562-A2 Cephalosporin derivatives ICI PHARMA (FR) 1982-07-07 EP claimed
EP-0055099-A1 Penicillin derivatives ICI PHARMA (FR) 1982-06-30 EP claimed