SCHEMBL9747007

SCHEMBL9747007

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 12/20 0.62
RARB P10826 12/20 0.62
RARG P13631 12/20 0.62
CYP26A1 O43174 8/20 0.62
CYP26B1 Q9NR63 6/20 0.62
CYP3A4 P08684 3/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
PGR P06401 1/20 0.56
ADORA3 P0DMS8 1/20 0.56
TBXA2R P21731 1/20 0.56
BLVRB P30043 1/20 0.56
RXRA P19793 2/20 0.55
RXRB P28702 2/20 0.55
RXRG P48443 2/20 0.55
ALDH1A1 P00352 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
TSHR P16473 1/20 0.53
MAPK1 P28482 1/20 0.53

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
SCHEMBL5888067 0.89 RARB (0.66) RARARARBRARGCYP26A1CYP26B1
SCHEMBL8458958 0.87 RXRA (0.69) RARARARBRARGCYP26A1CYP26B1
SCHEMBL9748966 0.86 RARA (0.50) RARARARBRARGCYP26A1CYP26B1
SCHEMBL9748378 0.85 FFAR1 (0.58) CYP26A1CYP26B1CYP3A4
SCHEMBL5680243 0.83 RARB (0.71) RARARARBRARGCYP26A1CYP26B1
SCHEMBL9746945 0.83 RXRA (0.80) RARARARBRARGCYP26A1CYP26B1
SCHEMBL10542551 0.81 CYP26A1 (0.43) RARARARBRARGCYP26A1CYP26B1
SCHEMBL8461595 0.80 RARB (0.63) RARARARBRARGCYP26A1CYP26B1
SCHEMBL8677671 0.80 CYP3A4 (0.61) RARARARBRARGCYP26A1CYP26B1
SCHEMBL2391376 0.77 RARB (1.00) RARARARBRARGCYP26A1CYP26B1

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 2 patents. 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
US-4826969-A SKIN AND EYE DISORDERS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES C.I.R.D. (FR) 1989-05-02 US disclosed