SCHEMBL9746757

SCHEMBL9746757

CCNC(=O)c1ccc2cc(/C(=N\O)c3ccc4c(c3)C(C)(C)CCC4(C)C)ccc2c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RARB P10826 11/20 0.53
RARG P13631 11/20 0.53
RARA P10276 10/20 0.53
CYP26A1 O43174 7/20 0.52
CYP26B1 Q9NR63 3/20 0.52
CYP3A4 P08684 5/20 0.48
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 1/20 0.47
RXRA P19793 3/20 0.46
RXRB P28702 3/20 0.46
RXRG P48443 3/20 0.46
HNF4A P41235 1/20 0.45

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
SCHEMBL9746761 1.00 RARB (0.53) RARBRARGRARACYP26A1CYP26B1
SCHEMBL9746364 0.88 RARB (0.67) RARBRARGRARACYP26A1CYP26B1
SCHEMBL5712098 0.83 RARB (0.75) RARBRARGRARACYP26A1CYP26B1
SCHEMBL5712126 0.83 RARB (0.75) RARBRARGRARACYP26A1CYP26B1
SCHEMBL9746403 0.83 RARB (0.75) RARBRARGRARACYP26A1CYP26B1
SCHEMBL10541851 0.82 RARB (0.58) RARBRARGRARACYP26A1CYP26B1
SCHEMBL9746767 0.81 RARA (0.52) RARBRARGRARACYP26A1CYP26B1
SCHEMBL9746770 0.81 RARA (0.52) RARBRARGRARACYP26A1CYP26B1
SCHEMBL9747829 0.81 RARB (0.56) RARBRARGRARACYP26A1CYP26B1
SCHEMBL9747949 0.81 RARB (0.71) RARBRARGRARACYP26A1CYP26B1

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