SCHEMBL8915318

SCHEMBL8915318

CCOC(=O)c1ccc(C#Cc2ccc3c(c2)C(SCC(C)C)=CCC3(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RARA P10276 19/20 0.48
RARB P10826 18/20 0.48
RARG P13631 18/20 0.48
CYP3A4 P08684 2/20 0.40
KMT2A Q03164 1/20 0.40
ACACB O00763 1/20 0.39
CYP26A1 O43174 1/20 0.36
CRABP2 P29373 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
SCHEMBL8772563 0.93 RARA (0.42) RARARARBRARGCYP3A4KMT2A
SCHEMBL8772538 0.90 RARA (0.52) RARARARBRARGCYP3A4KMT2A
SCHEMBL8901267 0.87 RARA (0.63) RARARARBRARGCYP3A4CYP26A1
SCHEMBL8772557 0.85 RARA (0.54) RARARARBRARGCYP3A4KMT2A
SCHEMBL8915310 0.85 RARA (0.50) RARARARBRARGCYP3A4KMT2A
SCHEMBL8772596 0.83 RARA (0.52) RARARARBRARGCYP3A4KMT2A
SCHEMBL7641992 0.83 RARA (0.56) RARARARBRARGCYP3A4KMT2A
SCHEMBL8772612 0.82 RARA (0.45) RARARARBRARGCYP3A4KMT2A
SCHEMBL8683642 0.81 RARA (0.57) RARARARBRARGCYP3A4KMT2A
SCHEMBL7639304 0.79 RARA (0.52) RARARARBRARGCYP3A4KMT2A

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-5618931-A SKIN DISORDERS, ANTIINFLAMMATORY AGENTS ALLERGAN 1997-04-08 US disclosed