SCHEMBL9748378

SCHEMBL9748378

CC1(C)CCC(C)(C)c2cc(NCc3ccc4cc(CCC(=O)O)ccc4c3)ccc21

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 14/20 0.58
CYP26B1 Q9NR63 6/20 0.58
CYP26A1 O43174 5/20 0.58
CYP3A4 P08684 1/20 0.52
FFAR4 Q5NUL3 5/20 0.49
GNA15 P30679 1/20 0.48
PTGER3 P43115 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL9747007 0.85 RARA (0.62) CYP26B1CYP26A1CYP3A4
SCHEMBL21776768 0.81 CYP26B1 (0.83) FFAR1CYP26B1CYP26A1CYP3A4
SCHEMBL29605538 0.81 CYP26B1 (0.83) FFAR1CYP26B1CYP26A1CYP3A4
SCHEMBL9748966 0.78 RARA (0.50) CYP26B1CYP26A1CYP3A4
SCHEMBL5888067 0.78 RARB (0.66) CYP26B1CYP26A1CYP3A4
SCHEMBL10542551 0.78 CYP26A1 (0.43) FFAR1CYP26B1CYP26A1CYP3A4FFAR4
SCHEMBL13027011 0.77 CYP26A1 (0.78) CYP26B1CYP26A1CYP3A4
SCHEMBL9748654 0.76 CYP26B1 (0.57) CYP26B1CYP26A1CYP3A4
SCHEMBL8458958 0.76 RXRA (0.69) CYP26B1CYP26A1CYP3A4
SCHEMBL6004955 0.76 CYP26A1 (0.53) CYP26B1CYP26A1CYP3A4

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-0220118-B1 BICYCLIC NAPHTHALENIC DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN HUMAN AND VETERINARY MEDICINE AND COSMETICS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA - CIRD GALDERMA (FR) 1992-01-02 EP claimed