SCHEMBL9307463

SCHEMBL9307463

Cc1ccc2oc(=O)c(C(=O)O)c(-c3ccccc3C)c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.53
MAPT P10636 4/20 0.53
ALDH1A1 P00352 3/20 0.53
HPGD P15428 3/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
NPC1 O15118 1/20 0.53
HTT P42858 1/20 0.53
RAB9A P51151 1/20 0.53
POLB P06746 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.44
MAOB P27338 5/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA5A P35218 1/20 0.44
CA7 P43166 1/20 0.44

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
SCHEMBL8784953 0.88 MAOA (0.51) KDM4EALDH1A1MEN1KMT2ANPC1
SCHEMBL9306855 0.88 KDM4E (0.51) KDM4EMAPTALDH1A1HPGDMEN1
SCHEMBL9155007 0.87 NQO1 (0.46) KDM4EMAPTALDH1A1HPGDMEN1
SCHEMBL9308703 0.85 POLB (0.45) KDM4EMAPTALDH1A1HPGDMEN1
SCHEMBL8784359 0.85 KDM4E (0.64) KDM4EMAPTALDH1A1HPGDMEN1
SCHEMBL9137916 0.81 KDM4E (0.41) KDM4EMAPTALDH1A1HPGDMEN1
SCHEMBL9137558 0.81 ALDH1A1 (0.41) KDM4EMAPTALDH1A1HPGDKMT2A
SCHEMBL11330155 0.78 KDM4E (0.56) KDM4EMAPTALDH1A1HPGDMEN1
SCHEMBL9153220 0.73 ALOX5 (0.58) KDM4EMAPTALDH1A1HPGDMEN1
SCHEMBL8786260 0.73 MAOB (0.54) KDM4EMAPTALDH1A1HPGDMEN1

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-5278186-A Substituted with secondary amide TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-01-11 US disclosed