SCHEMBL8992942

SCHEMBL8992942

CCOC(=O)c1ccc(C(O)c2ccccc2C)c(OC)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 1/20 0.56
RAB9A P51151 5/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
NPC1 O15118 3/20 0.51
POLB P06746 2/20 0.44
PKM P14618 1/20 0.44
MEN1 O00255 6/20 0.44
KMT2A Q03164 6/20 0.44
ALDH1A1 P00352 5/20 0.44
GAA P10253 2/20 0.44
KDM4E B2RXH2 4/20 0.44
MAPT P10636 9/20 0.44
HTT P42858 1/20 0.44
MAPK1 P28482 1/20 0.44
LMNA P02545 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43

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
SCHEMBL8992796 0.94 HSD17B2 (0.59) HSD17B2RAB9ASMN1; SMN2NPC1POLB
SCHEMBL8993178 0.81 HSD17B2 (0.57) HSD17B2RAB9ASMN1; SMN2NPC1POLB
SCHEMBL8992953 0.80 HSD17B2 (0.56) HSD17B2RAB9ASMN1; SMN2NPC1POLB
SCHEMBL10945118 0.76 HSD17B2 (0.73) HSD17B2RAB9ASMN1; SMN2NPC1POLB
SCHEMBL6929080 0.75 HSD17B2 (0.59) HSD17B2RAB9ASMN1; SMN2NPC1POLB
SCHEMBL30506315 0.75 HSD17B2 (0.76) HSD17B2RAB9ASMN1; SMN2NPC1POLB
SCHEMBL1660365 0.75 HSD17B2 (0.76) HSD17B2RAB9ASMN1; SMN2NPC1POLB
SCHEMBL8993227 0.74 HSD17B2 (0.58) HSD17B2RAB9ASMN1; SMN2NPC1POLB
SCHEMBL8133666 0.74 HSD17B2 (0.58) HSD17B2RAB9ASMN1; SMN2NPC1POLB
SCHEMBL23583879 0.74 HSD17B2 (0.61) HSD17B2RAB9ASMN1; SMN2NPC1POLB

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
US-5516777-A PROSTATE CANCER THERAPY OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-05-14 US disclosed
US-5409928-A Prostate diseases, alopecia OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-04-25 US disclosed
EP-0594149-A2 Condensed pyrazole derivatives, method of manufacturing the same, and androgen inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-04-27 EP disclosed