SCHEMBL8865026

SCHEMBL8865026

CCCCCCc1cc2c(cc1C#Cc1ccc(CC(=O)OCC)nn1)C(C)(C)CC(C)(C)S2

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RARA P10276 2/20 0.34
RARB P10826 2/20 0.34
RARG P13631 2/20 0.34
CYP3A4 P08684 1/20 0.34
KMT2A Q03164 1/20 0.34
AKT1 P31749 1/20 0.32
IRS1 P35568 1/20 0.32
GAB1 Q13480 1/20 0.32
GLS O94925 2/20 0.30

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
SCHEMBL8865324 0.92 CYP4F2 (0.33) RARARARBRARGCYP3A4KMT2A
SCHEMBL8865424 0.91 RARA (0.37) RARARARBRARGCYP3A4KMT2A
SCHEMBL8874487 0.90 PTGDR2 (0.31)
SCHEMBL8864842 0.87 RARA (0.37) RARARARBRARGCYP3A4KMT2A
SCHEMBL8865035 0.87 CYP3A4 (0.34) RARARARBRARGCYP3A4KMT2A
SCHEMBL9843011 0.85 PPARA (0.38)
SCHEMBL8865408 0.85 RARA (0.35) RARARARBRARGCYP3A4KMT2A
SCHEMBL9284584 0.85 CYP4F2 (0.35) RARARARBRARGCYP3A4KMT2A
SCHEMBL8865814 0.85 CYP3A4 (0.31) RARARARBRARGCYP3A4KMT2A
SCHEMBL8865003 0.83 RARA (0.30) RARARARBRARG

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-5677323-A SKIN DISORDERS, PSORIASIS ALLERGAN (US) 1997-10-14 US disclosed