SCHEMBL8992989

SCHEMBL8992989

COC(=O)c1ccc(C(C)(O)c2cccc(OC)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.53
NPC1 O15118 8/20 0.53
SMN1; SMN2 Q16637 5/20 0.53
TP53 P04637 4/20 0.53
KMT2A Q03164 3/20 0.53
ALDH1A1 P00352 2/20 0.53
PKM P14618 2/20 0.53
MAPK1 P28482 2/20 0.53
MEN1 O00255 2/20 0.53
HPGD P15428 1/20 0.53
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
POLB P06746 1/20 0.51
BLM P54132 1/20 0.51
MAPT P10636 5/20 0.50
LMNA P02545 2/20 0.50
HTT P42858 2/20 0.50
STAT1 P42224 1/20 0.46
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45

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
SCHEMBL28076804 1.00 RAB9A (0.53) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL28076971 0.83 ENPP2 (0.46) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL28076973 0.83 ENPP2 (0.46) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL2666074 0.83 TSHR (0.62) RAB9ANPC1SMN1; SMN2KMT2AALDH1A1
SCHEMBL6897457 0.83 ACHE (0.48) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL18545739 0.81 KIF11 (0.49) RAB9ANPC1SMN1; SMN2ALDH1A1MAPK1
SCHEMBL19130472 0.81 KIF11 (0.49) RAB9ANPC1SMN1; SMN2ALDH1A1MAPK1
SCHEMBL28076997 0.81 KIF11 (0.49) RAB9ANPC1SMN1; SMN2ALDH1A1MAPK1
SCHEMBL14336006 0.79 APP (0.46) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL28076900 0.75 NPC1 (0.61) RAB9ANPC1KMT2AMAPK1MEN1

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