SCHEMBL8865225

SCHEMBL8865225

CCCC(=O)Oc1ccc(C#Cc2ccc3c(c2)C(C)(C)CC(C)(C)S3)nn1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RARA P10276 4/20 0.43
RARB P10826 4/20 0.43
RARG P13631 4/20 0.43
CYP3A4 P08684 3/20 0.43
KMT2A Q03164 1/20 0.43
CYP26A1 O43174 2/20 0.40
ACACB O00763 6/20 0.34
HSPA9 P38646 1/20 0.32
CRABP2 P29373 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
SCHEMBL8865407 0.86 RARA (0.33) RARARARBRARGCYP3A4KMT2A
SCHEMBL8865344 0.86 RARA (0.45) RARARARBRARGCYP3A4KMT2A
SCHEMBL8864822 0.85 RARA (0.33) RARARARBRARGCYP3A4KMT2A
SCHEMBL8864901 0.82 RARA (0.41) RARARARBRARGCYP3A4KMT2A
SCHEMBL8865003 0.82 RARA (0.30) RARARARBRARG
SCHEMBL8865444 0.81 CYP3A4 (0.38) RARARARBRARGCYP3A4KMT2A
SCHEMBL8865237 0.80 RARA (0.49) RARARARBRARGCYP3A4KMT2A
SCHEMBL8662237 0.80 CYP3A4 (0.47) RARARARBRARGCYP3A4KMT2A
SCHEMBL8864915 0.79 RARA (0.38) RARARARBRARGCYP3A4KMT2A
SCHEMBL8865070 0.79 RARA (0.38) 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