SCHEMBL30374281

SCHEMBL30374281

CC1(C)CCSc2ccc(C#Cc3ccc(CO)cn3)cc21

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.69
▸ CYP26A1 O43174 2/20 0.69
▸ RARA P10276 9/20 0.66
▸ RARB P10826 9/20 0.66
▸ RARG P13631 9/20 0.66
▸ KMT2A Q03164 1/20 0.66
▸ RXRA P19793 2/20 0.38
▸ BACE1 P56817 4/20 0.35
▸ BACE2 Q9Y5Z0 4/20 0.35
▸ SSTR5 P35346 1/20 0.35
▸ CRABP2 P29373 1/20 0.34
▸ FFAR1 O14842 1/20 0.33
▸ FFAR4 Q5NUL3 1/20 0.33
▸ ACACB O00763 2/20 0.33

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
SCHEMBL860637 1.00 CYP3A4 (0.69) CYP3A4CYP26A1RARARARBRARG
SCHEMBL8765953 0.92 CYP3A4 (0.67) CYP3A4CYP26A1RARARARBRARG
SCHEMBL6670285 0.88 CYP26A1 (0.73) CYP3A4CYP26A1RARARARBRARG
SCHEMBL17885757 0.84 CYP3A4 (0.71) CYP3A4CYP26A1RARARARBRARG
SCHEMBL9271106 0.84 RARB (0.49) CYP3A4CYP26A1RARARARBRARG
SCHEMBL180442 0.83 CYP3A4 (0.70) CYP3A4CYP26A1RARARARBRARG
SCHEMBL5485071 0.83 CYP3A4 (0.70) CYP3A4CYP26A1RARARARBRARG
SCHEMBL6665694 0.83 CYP3A4 (0.70) CYP3A4CYP26A1RARARARBRARG
SCHEMBL14330777 0.82 CYP3A4 (0.84) CYP3A4CYP26A1RARARARBRARG
Tazarotenic Acid SCHEMBL29466098 0.82 CYP3A4 (1.00) CYP3A4CYP26A1RARARARBRARG

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
EP-4167959-A1 COMPOSITION FOR TOPICAL DERMATOLOGICAL DELIVERY Limeway Pharma Design Limited (GB) 2023-04-26 — — EP disclosed
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