SCHEMBL7656725

SCHEMBL7656725

COc1ccc(-c2cc(C(=O)O)cc3ccc4c(c23)OCO4)cc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.45
KDM4E B2RXH2 2/20 0.44
PTPN11 Q06124 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
EDNRA P25101 4/20 0.41
KMT2A Q03164 1/20 0.41
EDNRB P24530 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
SCHEMBL7659425 0.90 PLAU (0.44) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7656847 0.86 AURKA (0.46) SMN1; SMN2ALDH1A1
SCHEMBL7652092 0.84 ALDH1A1 (0.50) KDM4EALDH1A1HPGDKMT2A
SCHEMBL7681510 0.82 BACE1 (0.43) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7656276 0.82 P2RY14 (0.46)
SCHEMBL7656191 0.81 CFTR (0.47) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL8072530 0.78 GPR35 (0.46) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL8472452 0.77 SMN1; SMN2 (0.48) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7662193 0.76 ABL1 (0.44) SMN1; SMN2
SCHEMBL7659665 0.76 GRM2 (0.54) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1

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
US-6340704-B1 TREATING NERVE DISEASE OR BONE/JOINT DISEASE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-01-22 US disclosed