SCHEMBL7933189

SCHEMBL7933189

CC(C)(C)[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)N1C[C@@H]2C1CCCN2C(=O)c1ccc(C(=O)Nc2ccccc2)cn1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
STAT6 P42226 1/20 0.42
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
EGFR P00533 5/20 0.39
PIK3CA P42336 5/20 0.39
DGAT1 O75907 4/20 0.38
CYP51A1 Q16850 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CCKBR P32239 1/20 0.37
IDO1 P14902 1/20 0.36
KDM5A P29375 1/20 0.36
P4HTM Q9NXG6 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36

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
SCHEMBL7942137 0.90 STAT6 (0.41) STAT6CYP51A1CCKBRKDM5A
SCHEMBL1931737 0.87 NPC1 (0.42) STAT6NPC1RAB9ALMNASMN1; SMN2
SCHEMBL7942685 0.87 STAT6 (0.47) STAT6CYP51A1CCKBRKDM5A
SCHEMBL14980527 0.85 CYP51A1 (0.41) STAT6CYP51A1CCKBRKDM5A
SCHEMBL14980460 0.85 STAT6 (0.41) STAT6DGAT1CYP51A1CCKBRIDO1
SCHEMBL7934126 0.85 STAT6 (0.48) STAT6CYP51A1CCKBR
SCHEMBL14980442 0.84 STAT6 (0.48) STAT6CYP51A1CCKBR
SCHEMBL7934440 0.84 STAT6 (0.48) STAT6CYP51A1CCKBR
SCHEMBL14980528 0.84 STAT6 (0.40) STAT6CYP51A1CCKBRKDM5A
SCHEMBL7945427 0.83 STAT6 (0.45) STAT6CYP51A1CCKBRKDM5A

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
WO-2010011914-A1 TRPV4 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2010-01-28 WO disclosed