SCHEMBL27264247

SCHEMBL27264247

CC(=O)Oc1ccc(C(=O)O)c(C)c1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFD P00746 2/20 0.54
KDM4E B2RXH2 8/20 0.53
ALDH1A1 P00352 5/20 0.53
HSD17B10 Q99714 4/20 0.53
HPGD P15428 3/20 0.53
TSHR P16473 3/20 0.53
PTGS1 P23219 2/20 0.53
PTGS2 P35354 2/20 0.53
ESR1 P03372 1/20 0.53
ITGB3 P05106 1/20 0.53
ITGA2B P08514 1/20 0.53
HMGB1 P09429 1/20 0.53
GGT1 P19440 1/20 0.53
BLM P54132 1/20 0.53
NAPRT Q6XQN6 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
MAPK1 P28482 2/20 0.49
USP2 O75604 1/20 0.47
CYP2C19 P33261 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL11130469 0.85 CFD (0.58) CFDKDM4EALDH1A1HSD17B10HPGD
SCHEMBL27488935 0.85 ELANE (0.40) CFDKDM4EALDH1A1HSD17B10HPGD
SCHEMBL19138866 0.82 CFD (0.54) CFDKDM4EALDH1A1HSD17B10HPGD
SCHEMBL9867909 0.82 MAPK1 (0.62) CFDKDM4EALDH1A1HSD17B10HPGD
SCHEMBL27822908 0.81 CA12 (0.57) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL27263664 0.81 KMT2A (0.44) CFDKDM4EALDH1A1HSD17B10HPGD
SCHEMBL7110575 0.81 CFD (0.49) CFDKDM4EALDH1A1HSD17B10HPGD
SCHEMBL27444838 0.80 ESR1 (0.55) KDM4EALDH1A1HSD17B10HPGDTSHR
SCHEMBL27555346 0.80 KDM4E (0.39) CFDKDM4EALDH1A1HSD17B10HPGD
SCHEMBL28125896 0.80 KDM4E (0.50) CFDKDM4EALDH1A1HSD17B10HPGD

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1817935-A Formation of uretdione in solution BAYER MATERIALSCIENCE AG (DE) 2006-08-16 CN disclosed
CN-1017802-B METHOD FOR PREPARING 6-(SUBSTD.) HYDROXYMETHYL-PENICILLANIC ACIDS OR 1,1-DIOXIDE AND DERIVS THEREOF PFIZER (US) 1992-08-12 CN disclosed
CN-1017801-B 6- (substituted) hydroxymethyl penicillanic acids or 1, 1-dioxides and derivatives thereof PFIZER (US) 1992-08-12 CN disclosed
CN-1015461-B METHOD FOR PREPARING 6-(SUBSTD.) METHYLENEPENICILLANIC ACID AND 1,1-DIOXIDE, AND DERIVATIVES THEREOF PFIZER (US) 1992-02-12 CN disclosed
CN-1015462-B METHOD FOR PREPARING 6-(SUBSTD.) METHYLENEPENICILLANIC ACIDS OR 1,1-DIOXIDE AND DERIVATIVES THEREOF PFIZER (US) 1992-02-12 CN disclosed
CN-1011788-B 6- (substituted) methylenepenicillanic acids and derivatives thereof PFIZER (US) 1991-02-27 CN disclosed
CN-1046905-A 6-(replacement) methylene radical penam acids; The method for making of 6-(replacement) methylol penicillin alkanoic acid class and derivative thereof PFIZER (US) 1990-11-14 CN disclosed
CN-1045788-A 6-(replacement) methylene radical penam acids; The method for making of 6-(replacement) methylol penicillin alkanoic acid class and derivative thereof PFIZER (US) 1990-10-03 CN disclosed
CN-1045789-A 6-(replacement) methylene radical penam acids; The method for making of 6-(replacement) methylol penam acids and derivative thereof PFIZER (US) 1990-10-03 CN disclosed
CN-1045787-A The method for making of 6-(replacement) methylene radical penam acids, 6-(replacement) methylol penam acids and derivative thereof PFIZER (US) 1990-10-03 CN disclosed
CN-85101572-A Process for producing 6- (substituted) methylenepenicillanic acids, 6- (substituted) hydroxymethylpenicillanic acids and derivatives thereof 1986-10-29 CN disclosed