SCHEMBL7052839

SCHEMBL7052839

O=C(O)c1ccc2[nH]c(-c3ccc(O)c(C45CC6CC(CC(C6)C4)C5)c3)nc2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARG P13631 9/20 0.64
RARB P10826 9/20 0.64
RARA P10276 8/20 0.64
KMT2A Q03164 4/20 0.64
MEN1 O00255 3/20 0.64
KDM4E B2RXH2 3/20 0.64
ALDH1A1 P00352 3/20 0.64
HPGD P15428 3/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
TP53 P04637 1/20 0.64
CYP3A4 P08684 1/20 0.64
MAPT P10636 1/20 0.64
ALOX15 P16050 1/20 0.64
ALOX12 P18054 1/20 0.64
MAPK1 P28482 1/20 0.64
HSD17B10 Q99714 1/20 0.64
IKBKB O14920 3/20 0.53
THRB P10828 1/20 0.52
RECQL P46063 1/20 0.52
NR2E1 Q9Y466 1/20 0.52

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
SCHEMBL8321300 0.92 RARA (0.64) RARGRARBRARAKMT2AMEN1
SCHEMBL3807973 0.86 RARB (0.67) RARGRARBRARAKMT2AMEN1
SCHEMBL7786883 0.86 RARB (0.46) RARGRARBRARAKMT2AMEN1
SCHEMBL7047540 0.85 RARB (0.50) RARGRARBRARAKMT2AMEN1
SCHEMBL9286338 0.82 SMN1; SMN2 (0.47) RARGRARBRARAKMT2AMEN1
SCHEMBL7796793 0.82 RARB (0.47) RARGRARBRARAKMT2AMEN1
SCHEMBL7795164 0.81 MEN1 (0.45) RARGRARBRARAKMT2AMEN1
SCHEMBL12471355 0.79 KDM4E (0.56) KMT2AKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL7786885 0.79 CHEK1 (0.50) RARGRARBRARAKMT2AMEN1
O-Demethylated Adapalene SCHEMBL174205 0.79 RARG (1.00) RARGRARBRARAKMT2AMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0862910-B1 Use of retinoids as skin pigmentation inducing agent GALDERMA RECH DERMATOLOGIQUE (FR) 2003-05-02 EP claimed
US-5942531-A Phenolic/naphtholic retinoids for promoting skin/exoskeleton pigmentation CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (FR) 1999-08-24 US claimed
US-5942531-A Phenolic/naphtholic retinoids for promoting skin/exoskeleton pigmentation CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (FR) 1999-08-24 US disclosed