SCHEMBL13889352

SCHEMBL13889352

CC12C=CC(Cc3ccccc3)(O1)[C@@H]1C(=O)N(c3ccc(C#N)c(CF)c3)C(=O)[C@@H]12

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 6/20 0.43
APBA1 Q02410 6/20 0.43
AR P10275 12/20 0.41
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
ATM Q13315 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL13889353 0.87 CACNA1B (0.45) CACNA1BAPBA1ARALDH1A1TP53
SCHEMBL13482475 0.86 AR (0.55) AR
SCHEMBL13480984 0.86 AR (0.55) AR
SCHEMBL13889592 0.86 CACNA1B (0.52) CACNA1BAPBA1ARALDH1A1LMNA
SCHEMBL13989449 0.85 AR (0.44) CACNA1BAPBA1ARALDH1A1LMNA
SCHEMBL13889654 0.81 AR (0.45) CACNA1BAPBA1AR
SCHEMBL13889600 0.81 CACNA1B (0.46) CACNA1BAPBA1ARALDH1A1LMNA
SCHEMBL13889764 0.77 AR (0.54) CACNA1BAPBA1AR
SCHEMBL13989418 0.77 AR (0.53) CACNA1BAPBA1AR
SCHEMBL13989372 0.74 ALDH1A1 (0.37) CACNA1BAPBA1ARALDH1A1LMNA

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-7517904-B2 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2009-04-14 US disclosed