SCHEMBL6101137

SCHEMBL6101137

CC(C)(C)c1ccc(-c2ccc(C(CC(=O)O)NC(=O)c3cc(Cl)ccc3NCc3cccc4ccccc34)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CYP26A1 O43174 8/20 0.47
▸ CTSA P10619 8/20 0.43
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ GCGR P47871 1/20 0.39
▸ PPARG P37231 1/20 0.39
▸ NR1H4 Q96RI1 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
SCHEMBL5926904 0.93 CTSA (0.50) CYP26A1CTSAMEN1KMT2A
SCHEMBL5926699 0.88 CTSA (0.42) CYP26A1CTSAMEN1KMT2A
SCHEMBL3978076 0.88 EGLN2 (0.47) CYP26A1CTSAMEN1KMT2AHPGD
SCHEMBL5926915 0.86 TACR3 (0.41) CYP26A1CTSAMEN1KMT2A
SCHEMBL3992039 0.86 CTSA (0.44) CYP26A1CTSAGCGR
SCHEMBL6101133 0.85 ITGB1 (0.44) MEN1KMT2A
SCHEMBL5926316 0.84 CNR1 (0.42) CYP26A1CTSAMEN1KMT2A
SCHEMBL5926299 0.83 CTSA (0.43) CYP26A1CTSAMEN1KMT2A
SCHEMBL5926161 0.83 CASP3 (0.42) CTSAKMT2A
SCHEMBL5926269 0.82 CTSA (0.41) CTSAKMT2A

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-7122580-B2 Aryl and heteroaryl compounds and methods to modulate coagulation TRANSTECH PHARMA, INC. (US) 2006-10-17 — — US disclosed
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