SCHEMBL9130572

SCHEMBL9130572

COC(=O)C1(c2ccc3c(c2)C(C)(C)CCC3(C)C)N=c2ccccc2=N1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RXRA P19793 12/20 0.44
CYP26B1 Q9NR63 6/20 0.41
CYP26A1 O43174 5/20 0.41
RXRB P28702 7/20 0.41
RARB P10826 5/20 0.40
RARG P13631 4/20 0.40
RXRG P48443 5/20 0.39
CYP3A4 P08684 2/20 0.39
RARA P10276 2/20 0.38
HNF4A P41235 1/20 0.38

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
SCHEMBL9131231 0.85 RXRA (0.50) RXRACYP26B1CYP26A1RXRBRARB
SCHEMBL7897312 0.69 RXRA (0.53) RXRACYP26B1CYP26A1RXRBRARB
SCHEMBL11077426 0.68 MEN1 (0.42) RXRACYP26A1RXRBRARBRARG
SCHEMBL8707418 0.67 RXRA (0.72) RXRACYP26B1CYP26A1RXRBRARB
SCHEMBL7889505 0.67 RXRA (0.60) RXRACYP26B1CYP26A1RXRBRARB
SCHEMBL5204065 0.66 KMT2A (0.36)
SCHEMBL2788640 0.65 CYP3A4 (0.70) RXRACYP26B1CYP26A1RXRBRARB
SCHEMBL20398882 0.65 RXRA (0.54) RXRACYP26B1CYP26A1RXRBRARB
SCHEMBL8708782 0.64 RXRA (0.74) RXRACYP26B1CYP26A1RXRBRARB
SCHEMBL7756598 0.64 RXRA (0.64) RXRACYP26B1CYP26A1RXRBRARB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5428052-A Classifiable as retinoids; skin disorders, corneopathy CENTRE INTERNATIONALE DE RECHERCHES DERMATOLOGIQUES (C.I.R.D.) (FR) 1995-06-27 US disclosed
US-5288744-A Tetramethyltetrahydronaphthyl benzothiazole for treating skin disorders CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (C.I.R.D.) (FR) 1994-02-22 US disclosed
US-5260295-A Retinoic acid derivatives, cosmetics, skin disorders CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (C.I.R.D.) (FR) 1993-11-09 US disclosed
US-5059621-A Treatment of dermatologic ailments linked to keratinization disorder CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (C.I.R.D.) (FR) 1991-10-22 US disclosed
US-4920140-A Skin disorders CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES C.I.R.D. (FR) 1990-04-24 US disclosed
US-4740519-A Benzo (b) thiophene carboxylate derivatives and pharmaceutical compositions CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES C.I.R.D. (FR) 1988-04-26 US disclosed