SCHEMBL9512574

SCHEMBL9512574

CC12CCCC(C1)c1cc(Cl)cc(C(=O)O)c1O2

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.33
MAPT P10636 1/20 0.33
KDM4E B2RXH2 1/20 0.33
SERPINE1 P05121 2/20 0.32
PTGDR2 Q9Y5Y4 5/20 0.32
PTGDR Q13258 4/20 0.32
CCR2 P41597 1/20 0.32
AKR1C4 P17516 1/20 0.31
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31
AKR1C1 Q04828 1/20 0.31
TSHR P16473 1/20 0.31
CFTR P13569 1/20 0.31
PTGER1 P34995 1/20 0.31
CYP3A4 P08684 1/20 0.31
PTGER2 P43116 1/20 0.30

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
SCHEMBL7410883 0.70 HSD17B10 (0.36) HSD17B10MAPTKDM4ESERPINE1PTGDR2
SCHEMBL5769073 0.70 AKT1 (0.33)
SCHEMBL7424445 0.70 HSD17B10 (0.36) HSD17B10MAPTKDM4ESERPINE1PTGDR2
SCHEMBL7413425 0.70 HSD17B10 (0.36) HSD17B10MAPTKDM4ESERPINE1PTGDR2
SCHEMBL9249778 0.68 AKR1C4 (0.53) HSD17B10MAPTKDM4ESERPINE1PTGDR2
SCHEMBL7325572 0.65 FFAR4 (0.36) AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL669624 0.64 FFAR4 (0.38) AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL2432528 0.64 FFAR4 (0.49) MAPTAKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL7312361 0.63 HSD17B10 (0.37) HSD17B10MAPTKDM4ESERPINE1PTGDR2
SCHEMBL7312354 0.63 HSD17B10 (0.37) HSD17B10MAPTKDM4ESERPINE1PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0559656-A1 PROCESS FOR PREPARING MULTICYCLIC OXY-CONTAINING RING COMPONENTS RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1993-09-15 EP disclosed
WO-1992009592-A1 PROCESS FOR PREPARING MULTICYCLIC OXY-CONTAINING RING COMPONENTS RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1992-06-11 WO disclosed