SCHEMBL8992774

SCHEMBL8992774

CC(C)(c1ccccc1)c1ccc(-c2cnn3c(O)c(C(=O)O)cnc23)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.50
SMN1; SMN2 Q16637 6/20 0.50
NPC1 O15118 6/20 0.50
ALDH1A1 P00352 4/20 0.50
MAPT P10636 3/20 0.50
KDM4E B2RXH2 2/20 0.50
NFKB1 P19838 2/20 0.47
NFKB2 Q00653 2/20 0.47
RELA Q04206 2/20 0.47
TP53 P04637 1/20 0.46
HPGD P15428 1/20 0.46
STAT1 P42224 1/20 0.46
HSD17B10 Q99714 1/20 0.46
GPR119 Q8TDV5 6/20 0.43
HCAR2 Q8TDS4 5/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL8992889 0.81 HCAR2 (0.50) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL8992832 0.81 RAB9A (0.52) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL9148492 0.78 NPC1 (0.42) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL8992995 0.78 GPR119 (0.47) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL9165610 0.74 RAB9A (0.53) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL9172975 0.74 RAB9A (0.47) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL9168507 0.74 SMN1; SMN2 (0.47) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL8993229 0.74 BRS3 (0.52) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL9172965 0.74 SMN1; SMN2 (0.43) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL9166593 0.72 RAB9A (0.47) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT

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