SCHEMBL7656191

SCHEMBL7656191

COc1ccc(-c2cc(C(=O)O)nc3ccc4c(c23)OCO4)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CFTR P13569 2/20 0.47
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
MCL1 Q07820 3/20 0.43
MAPT P10636 3/20 0.43
HPGD P15428 2/20 0.43
RECQL P46063 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
GRM2 Q14416 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CASP3 P42574 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
EDNRA P25101 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
SCHEMBL7659665 0.90 GRM2 (0.54) ALDH1A1KDM4EMAPTHPGDKMT2A
SCHEMBL7658391 0.88 MAPT (0.45) ALDH1A1KDM4EMAPTHPGDKMT2A
SCHEMBL7657898 0.86 SIRT2 (0.44) ALDH1A1KDM4EMAPTHPGDGRM2
SCHEMBL7655633 0.85 GRM2 (0.43) CFTRALDH1A1KDM4EMCL1KMT2A
SCHEMBL7658200 0.85 MCL1 (0.47) ALDH1A1KDM4EMCL1MAPTHPGD
SCHEMBL7655647 0.84 MAPT (0.51) ALDH1A1KDM4EMAPTHPGDRECQL
SCHEMBL7659132 0.82 KMT2A (0.62) ALDH1A1KDM4EMAPTKMT2AMEN1
SCHEMBL7656725 0.81 NR4A2 (0.45) ALDH1A1KDM4EMAPTHPGDKMT2A
SCHEMBL7651397 0.80 POLB (0.55) ALDH1A1KDM4EMAPTHPGDRECQL
SCHEMBL7655836 0.80 ALDH1A1 (0.50) ALDH1A1KDM4EMAPTHPGDRECQL

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-6340704-B1 TREATING NERVE DISEASE OR BONE/JOINT DISEASE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-01-22 US disclosed
EP-0975621-A1 CELL DIFFERENTIATION INDUCING AMIDE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 2000-02-02 EP disclosed
WO-1998049155-A1 CELL DIFFERENTIATION INDUCING AMIDE DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-11-05 WO disclosed