SCHEMBL11770410

SCHEMBL11770410

CC(C)C(=O)CSc1ccc(Cl)cc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ ALDH1A1 P00352 5/20 0.45
▸ TP53 P04637 1/20 0.45
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ TSHR P16473 2/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ KDM4E B2RXH2 4/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ MYC P01106 2/20 0.40
▸ NR4A1 P22736 1/20 0.40
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ PRNP P04156 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ GAA P10253 1/20 0.38

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
SCHEMBL11772304 0.83 RAB9A (0.49) RAB9ANPC1ALDH1A1TP53CA1
SCHEMBL11768536 0.77 RAB9A (0.72) RAB9ANPC1ALDH1A1TP53CA1
SCHEMBL11770418 0.75 ALDH1A1 (0.50) RAB9AALDH1A1TP53CA1CA2
SCHEMBL11777077 0.75 CA2 (0.50) RAB9ANPC1ALDH1A1TP53CA1
SCHEMBL20053804 0.74 ALDH1A1 (0.57) ALDH1A1TP53CA1CA2SMN1; SMN2
SCHEMBL4437995 0.73 ALDH1A1 (0.61) ALDH1A1TP53CA1CA2SMN1; SMN2
SCHEMBL823686 0.73 ALDH1A1 (0.61) ALDH1A1TP53CA1CA2SMN1; SMN2
SCHEMBL11771240 0.73 RAB9A (0.69) RAB9ANPC1ALDH1A1SMN1; SMN2TSHR
SCHEMBL11770861 0.73 RAB9A (0.55) RAB9ANPC1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL7477159 0.73 HPGD (0.59) RAB9ANPC1ALDH1A1SMN1; SMN2TSHR

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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