SCHEMBL11785264

SCHEMBL11785264

CC(=O)CSc1ccc(Br)cc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.46
▸ GLA P06280 1/20 0.46
▸ CYP1A2 P05177 1/20 0.44
▸ MYC P01106 1/20 0.43
▸ NR4A1 P22736 1/20 0.43
▸ PTPRC P08575 1/20 0.42
▸ PTPRG P23470 1/20 0.42
▸ APEX1 P27695 1/20 0.41
▸ PTGDR2 Q9Y5Y4 1/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ POLB P06746 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ GRIN1 Q05586 1/20 0.39
▸ GRIN2A Q12879 1/20 0.39
▸ GRIN2B Q13224 1/20 0.39
▸ GRIN2C Q14957 1/20 0.39

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
SCHEMBL11773180 0.82 RAB9A (0.50) KDM4ECYP1A2RAB9APOLBMEN1
SCHEMBL11777753 0.81 KEAP1 (0.46) KDM4ECYP1A2RAB9APOLBNPC1
SCHEMBL11772304 0.81 RAB9A (0.49) KDM4ECYP1A2MYCNR4A1RAB9A
SCHEMBL11774864 0.78 SMN1; SMN2 (0.53) KDM4ECYP1A2APEX1RAB9APOLB
SCHEMBL11770114 0.78 KDM4E (0.53) KDM4EGLACYP1A2MYCNR4A1
SCHEMBL5237193 0.77 KDM4E (0.57) KDM4EGLACYP1A2MYCNR4A1
SCHEMBL11774987 0.77 RAB9A (0.67) CYP1A2PTPRCPTPRGRAB9APOLB
SCHEMBL2561504 0.76 CYP1A2 (0.73) CYP1A2RAB9APOLBMEN1KMT2A
SCHEMBL19967189 0.74 KDM4E (0.58) KDM4EGLACYP1A2MYCNR4A1
SCHEMBL11818393 0.74 KMT2A (0.60) KDM4EGLAPTPRCPTPRGPTGDR2

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-3953595-A Substituted benzoic acid hypolipemic agents PFIZER INC. (US) 1976-04-27 — — US disclosed
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