SCHEMBL8637464

SCHEMBL8637464

COc1ccc(CC(=O)S)c(Br)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.46
POLB P06746 1/20 0.44
PTGS1 P23219 1/20 0.42
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
HPGD P15428 1/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
GSK3B P49841 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40

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
SCHEMBL27557248 0.84 CYP3A4 (0.49) HSD17B10POLBPTGS1AKR1C3AKR1C2
SCHEMBL983847 0.84 HSD17B10 (0.65) HSD17B10POLBPTGS1AKR1C3AKR1C2
SCHEMBL30046118 0.83 ALDH1A1 (0.54) HSD17B10POLBPTGS1AKR1C3AKR1C2
SCHEMBL26824456 0.83 PLA2G2A (0.48) HSD17B10POLBPTGS1AKR1C3AKR1C2
SCHEMBL1097958 0.83 HSD17B10 (0.46) HSD17B10POLBPTGS1AKR1C3AKR1C2
SCHEMBL2436724 0.83 ALDH1A1 (0.54) HSD17B10POLBPTGS1AKR1C3AKR1C2
SCHEMBL13061956 0.81 AKR1C3 (0.53) HSD17B10POLBPTGS1AKR1C3AKR1C2
SCHEMBL20185728 0.81 GSK3B (0.46) HSD17B10POLBPTGS1AKR1C3AKR1C2
SCHEMBL13012120 0.80 HSD17B10 (0.44) HSD17B10POLBPTGS1AKR1C3AKR1C2
SCHEMBL13742193 0.79 PPARG (0.47) HSD17B10POLBHPGDKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0516257-B1 Phenylbenzo[b]furans and -thiophenes, procedures for their preparation, and pharmaceutical compositions containing the same SCHERING AG (DE) 1998-08-05 EP disclosed
WO-1992021669-A1 2-PHENYLBENZO[B]FURANS AND THIOPHENES, METHODS OF PREPARING THEM AND PHARMACEUTICAL PREPARATIONS CONTAINING THEM SCHERING AKTIENGESELLSCHAFT (DE) 1992-12-10 WO disclosed
EP-0516257-A1 Phenylbenzo[b]furans and -thiophenes, procedures for their preparation, and pharmaceutical compositions containing the same SCHERING AKTIENGESELLSCHAFT (DE) 1992-12-02 EP disclosed