SCHEMBL8865445

SCHEMBL8865445

CCCC(CC)C(=O)Oc1ccc(C#Cc2ccc3c(c2)C(C)(C)CC(C)(C)S3)o1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ RARA P10276 3/20 0.35
▸ RARB P10826 3/20 0.35
▸ RARG P13631 3/20 0.35
▸ CYP3A4 P08684 2/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HSPA9 P38646 1/20 0.31
▸ CYP26A1 O43174 1/20 0.30
▸ CRABP2 P29373 1/20 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
SCHEMBL8865070 0.85 RARA (0.38) RARARARBRARGCYP3A4KMT2A
SCHEMBL8865458 0.81 RARA (0.39) RARARARBRARGCYP3A4KMT2A
SCHEMBL8658355 0.80 CYP3A4 (0.39) RARARARBRARGCYP3A4KMT2A
SCHEMBL8865081 0.76 RARA (0.40) RARARARBRARGCYP3A4KMT2A
SCHEMBL8558273 0.70 RARA (0.56) RARARARBRARGCYP3A4KMT2A
SCHEMBL9182226 0.69 RARA (0.43) RARARARBRARGCYP3A4KMT2A
SCHEMBL8864901 0.68 RARA (0.41) RARARARBRARGCYP3A4KMT2A
SCHEMBL8864915 0.67 RARA (0.38) RARARARBRARGCYP3A4KMT2A
SCHEMBL8864928 0.67 RARA (0.41) RARARARBRARGCYP3A4KMT2A
SCHEMBL9176637 0.67 RARB (0.64) RARARARBRARGCYP3A4CYP26A1

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
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