SCHEMBL10069338

SCHEMBL10069338

COC(=O)c1cc(C(=O)O)cc2c1CCO2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.47
ALDH1A1 P00352 6/20 0.47
MAPT P10636 3/20 0.42
KMT2A Q03164 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MEN1 O00255 2/20 0.42
TP53 P04637 2/20 0.42
POLB P06746 1/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
GLA P06280 2/20 0.39
GAA P10253 2/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
ALOX15 P16050 1/20 0.39
PLK1 P53350 1/20 0.36
GRM5 P41594 1/20 0.36
MAPK1 P28482 2/20 0.35
CASP3 P42574 1/20 0.35

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
SCHEMBL6468123 0.92 KDM4E (0.44) KDM4EALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL10069323 0.91 KDM4E (0.49) KDM4EALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL2558486 0.90 NPC1 (0.44) KDM4EALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL10069355 0.88 KDM4E (0.44) KDM4EALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL2559609 0.82 KDM4E (0.47) KDM4EALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL643450 0.82 KDM4E (0.49) KDM4EALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL2556818 0.81 KDM4E (0.46) KDM4EALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL6468002 0.80 KDM4E (0.42) KDM4EALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL12284075 0.79 ALDH1A1 (0.41) KDM4EALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL10069368 0.78 ALDH1A1 (0.46) KDM4EALDH1A1MAPTKMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012019428-A1 BENZOHYDROL DERIVATIVES, A PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF 上海恒瑞医药有限公司 (CN) 2012-02-16 WO disclosed