SCHEMBL56956

SCHEMBL56956

Cc1cc(C)c([O])c(C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 5/20 0.45
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP13 P45452 1/20 0.39
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38

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
Phosphine SCHEMBL28013108 0.97 RAPGEF4 (0.43) RAPGEF4CA1CA2MMP1MMP2
SCHEMBL16196856 0.80 RAPGEF4 (0.36) RAPGEF4CA1CA2MMP1MMP2
SCHEMBL4396493 0.80 HTT (0.41) RAPGEF4ALDH1A1KDM4ELMNAMAPT
SCHEMBL2909254 0.78 SMN1; SMN2 (0.52) RAPGEF4CA1CA2MMP1MMP2
SCHEMBL6380803 0.73 TTR (0.36) RAPGEF4
SCHEMBL5009248 0.73 NQO2 (0.35) ALDH1A1KDM4EMAPTTSHRCYP1A2
SCHEMBL1214996 0.73 TSHR (0.41) RAPGEF4ALDH1A1TSHRTP53TPMT
SCHEMBL6377760 0.73 ALDH1A1 (0.47) ALDH1A1KDM4ELMNAMAPTTSHR
SCHEMBL396690 0.71 RAPGEF4 (0.39) RAPGEF4CA1CA2MMP1MMP2
SCHEMBL201608 0.71 POLB (0.52) HSD17B10ALDH1A1LMNAMAPTTSHR

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 2627 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116726996-A Catalyst for isomerization of branched unsaturated fatty nitrile, preparation method and application thereof 北京旭阳科技有限公司 2023-09-12 CN claimed
CN-116693573-A Column arene bisphosphite ligand, and preparation method and application thereof 北京旭阳科技有限公司 2023-09-05 CN claimed
CN-115322231-A Oxazoline-based N, N-bidentate iron complex, preparation method and application 大连理工大学 2022-11-11 CN claimed
CN-114716386-A Novel exosome inhibitor and preparation method thereof 北京和理咨询有限公司 2022-07-08 CN claimed
CN-114573580-A Crystalline forms of selegiline UCB生物制药有限责任公司 2022-06-03 CN claimed
US-11059820-B2 Crystalline forms of seletalisib UCB BIOPHARMA SPRL (BE) 2021-07-13 US claimed
CN-113024587-A Condensed aromatic derivative containing boron and nitrogen, method for preparing same, and organic electroluminescent device 吉林奥来德光电材料股份有限公司 2021-06-25 CN claimed
CN-110981937-A Polypeptide conjugate of ODN or derivative, preparation method and application thereof 北京和理咨询有限公司 2020-04-10 CN claimed
EP-3630760-A1 CRYSTALLINE FORMS OF SELETALISIB UCB Biopharma SRL (BE) 2020-04-08 EP claimed
US-20200095246-A1 CRYSTALLINE FORMS OF SELETALISIB UCB BIOPHARMA SRL (SOCIETE A RESPONSABILITE LIMITEE) (BE) 2020-03-26 US claimed
WO-2000012613-A9 FLAME RETARDANT POLYMER BLENDS, AND METHOD FOR MAKING GEN ELECTRIC (US) 2000-08-17 WO claimed
WO-2000012612-A1 FLAME RETARDANT RESIN COMPOSITIONS CONTAINING PHOSPHORAMIDES, AND METHOD FOR MAKING GENERAL ELECTRIC COMPANY (US) 2000-03-09 WO claimed
WO-2000012609-A1 FLAME RETARDANT POLYMER BLENDS, AND METHOD FOR MAKING GENERAL ELECTRIC COMPANY (US) 2000-03-09 WO claimed
WO-2000012613-A1 FLAME RETARDANT POLYMER BLENDS, AND METHOD FOR MAKING GENERAL ELECTRIC COMPANY (US) 2000-03-09 WO claimed
WO-2000012611-A1 FLAME RETARDANT RESIN COMPOSITIONS CONTAINING PHOSPHORAMIDES, AND METHOD FOR MAKING GENERAL ELECTRIC COMPANY (US) 2000-03-09 WO claimed
WO-2000012614-A1 FLAME RETARDANT RESIN COMPOSITIONS CONTAINING PHOSPHORAMIDES, AND METHOD FOR MAKING GENERAL ELECTRIC COMPANY (US) 2000-03-09 WO claimed
US-5986120-A Metal triflimide complexes THE RESEARCH FOUNDATION OF THE STATE UNIVERSITY OF NEW YORK (US) 1999-11-16 US claimed
WO-1999050256-A1 TRISUBSTITUTED 1,3,5-TRIAZINE DERIVATIVES FOR TREATMENT OF HIV INFECTIONS JANSSEN PHARMACEUTICA N.V. (BE) 1999-10-07 WO claimed
WO-1999040124-A1 METAL TRIFLIMIDE COMPLEXES THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1999-08-12 WO claimed
US-5294737-A Hydrolysis, cyclization, condensation THE RESEARCH FOUNDATION STATE UNIVERSITY OF NEW YORK (US) 1994-03-15 US claimed