SCHEMBL9120751

SCHEMBL9120751

CC1(C)CCC(C)(C)c2c1ccc(C(=O)O)c2Cl

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RARA P10276 6/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
RXRA P19793 14/20 0.46
TP53 P04637 1/20 0.44
RARB P10826 8/20 0.43
RARG P13631 8/20 0.43
RXRB P28702 8/20 0.43
RXRG P48443 7/20 0.43
TSHR P16473 1/20 0.42
CYP26A1 O43174 1/20 0.40
CRABP2 P29373 1/20 0.40

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
SCHEMBL26970060 0.78 RARA (0.62) RARACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL9430374 0.76 RARB (0.41) RARACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7621921 0.75 RXRA (0.39) RARACYP3A4RXRARARBRARG
SCHEMBL7617142 0.75 RXRA (0.39) RARACYP3A4RXRARARBRARG
SCHEMBL7621926 0.71 RXRA (0.36) RARACYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL9551762 0.71 RARB (0.42) RARACYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL28646163 0.70 RXRA (0.59) RARARXRARARBRARGRXRB
SCHEMBL7879971 0.69 TP53 (0.42) RARACYP1A2RXRATP53RARB
SCHEMBL32690872 0.69 TSHR (0.61) CYP1A2CYP3A4TP53TSHR
SCHEMBL217628 0.69 TSHR (0.61) CYP1A2CYP3A4TP53TSHR

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 8 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-5420145-A Antileukemia Shudo, Koichi (JP) 1995-05-30 US disclosed
EP-0617020-A1 Carboxylic acid derivatives having retinoic acid-like activity Shudo, Koichi, Prof. Dr. (JP) 1994-09-28 EP 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