SCHEMBL9308311

SCHEMBL9308311

Cc1ccc2oc(-c3c(C(=O)O)cccc3C(C)(C)C)c(Br)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.44
POLB P06746 2/20 0.44
MAPT P10636 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
PKM P14618 1/20 0.39
CSNK2A2 P19784 2/20 0.37
CSNK2B P67870 2/20 0.37
CSNK2A1 P68400 2/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37

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
SCHEMBL9310915 0.86 AGTR1 (0.33) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL9308306 0.85 POLB (0.39) KDM4EPOLBMAPTSMN1; SMN2ALDH1A1
SCHEMBL7312942 0.78 KDM4E (0.62) KDM4EPOLBMAPTSMN1; SMN2ALDH1A1
SCHEMBL9309279 0.75 AGTR1 (0.38)
SCHEMBL9310909 0.71 NPC1 (0.32) SMN1; SMN2ALDH1A1NPC1RAB9AMEN1
SCHEMBL7302852 0.70 KDM4E (0.44) KDM4EPOLBMAPTSMN1; SMN2ALDH1A1
SCHEMBL9663244 0.70 MAPT (0.35) KDM4EPOLBMAPTSMN1; SMN2ALDH1A1
SCHEMBL7302152 0.68 KDM4E (0.46) KDM4EPOLBMAPTSMN1; SMN2ALDH1A1
SCHEMBL8549279 0.68 KDM4E (0.43) KDM4EPOLBMAPTSMN1; SMN2ALDH1A1
SCHEMBL21810462 0.68 TAS2R14 (0.46) KDM4ESMN1; SMN2ALDH1A1HPGDKMT2A

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-5374646-A Treatment or prophylasix of hypertension and diseases associated with cognitive disorders GLAXO GROUP LIMITED (GB) 1994-12-20 US disclosed