SCHEMBL8865407

SCHEMBL8865407

CCCC(=O)Oc1ccc(C#Cc2cc3c(cc2CC)SC(C)(C)CC3(C)C)nn1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RARA P10276 2/20 0.33
RARB P10826 2/20 0.33
RARG P13631 2/20 0.33
CYP3A4 P08684 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL8864822 0.92 RARA (0.33) RARARARBRARGCYP3A4KMT2A
SCHEMBL8865003 0.92 RARA (0.30) RARARARBRARG
SCHEMBL8865225 0.86 RARA (0.43) RARARARBRARGCYP3A4KMT2A
SCHEMBL8865433 0.85 RARA (0.32) RARARARBRARGCYP3A4KMT2A
SCHEMBL8865678 0.83 AKR1B1 (0.31)
SCHEMBL8865424 0.80 RARA (0.37) RARARARBRARGCYP3A4KMT2A
SCHEMBL8663168 0.80 CYP3A4 (0.34) RARARARBRARGCYP3A4KMT2A
SCHEMBL8865698 0.80 RARA (0.32) RARARARBRARGCYP3A4KMT2A
SCHEMBL8865581 0.80 RARA (0.34) RARARARBRARG
SCHEMBL8875049 0.79 RARA (0.33) 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-5677323-A SKIN DISORDERS, PSORIASIS ALLERGAN (US) 1997-10-14 US disclosed