SCHEMBL10568461

SCHEMBL10568461

CCOC(=O)CCc1cccc(C#Cc2ccc3c(c2)C(C)(C)CCO3)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RARA P10276 5/20 0.39
RARB P10826 5/20 0.39
RARG P13631 5/20 0.39
CYP3A4 P08684 2/20 0.39
KMT2A Q03164 2/20 0.39
FFAR1 O14842 5/20 0.39
CYP26A1 O43174 2/20 0.38
CYP26B1 Q9NR63 1/20 0.38
RXRA P19793 1/20 0.38
HNF4A P41235 1/20 0.38
CRABP2 P29373 1/20 0.37
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
GRM5 P41594 1/20 0.35
POLB P06746 1/20 0.35
MEN1 O00255 1/20 0.35

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
SCHEMBL9817640 0.94 ALOX5 (0.38) RARARARBRARGCYP3A4KMT2A
SCHEMBL9817779 0.94 RARA (0.37) RARARARBRARGCYP3A4KMT2A
SCHEMBL9817847 0.91 CYP4F2 (0.43) RARARARBRARGCYP3A4KMT2A
SCHEMBL9817608 0.90 RARA (0.42) RARARARBRARGCYP3A4KMT2A
SCHEMBL9817687 0.88 FFAR1 (0.37) RARARARBRARGCYP3A4KMT2A
SCHEMBL9817748 0.85 CYP26A1 (0.41) RARARARBRARGCYP3A4KMT2A
SCHEMBL9817653 0.85 CYP4F2 (0.41) RARARARBRARGCYP3A4KMT2A
SCHEMBL9817759 0.85 CYP26A1 (0.40) RARARARBRARGCYP3A4KMT2A
SCHEMBL9817649 0.83 ALOX5 (0.36) KMT2AFFAR1CYP4F2CYP4A11ALDH1A1
SCHEMBL9817666 0.82 RARA (0.49) 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-4810804-A PSORIASIS ALLERGAN, INC. (US) 1989-03-07 US disclosed