SCHEMBL9133271

SCHEMBL9133271

CC1(C)CCOc2ccc(C(=O)Cl)cc21

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RARB P10826 8/20 0.60
RARG P13631 8/20 0.60
RARA P10276 6/20 0.60
RXRA P19793 4/20 0.55
CYP26A1 O43174 1/20 0.55
CYP26B1 Q9NR63 1/20 0.55
HNF4A P41235 2/20 0.46
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
SSTR5 P35346 2/20 0.42
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL2240304 0.86 RARB (0.76) RARBRARGRARARXRACYP26A1
SCHEMBL2240683 0.86 RARB (0.64) RARBRARGRARARXRACYP26A1
Hydrochloric Acid SCHEMBL9133279 0.85 RARB (0.74) RARBRARGRARARXRACYP26A1
SCHEMBL11212966 0.84 RARB (0.58) RARBRARGRARARXRACYP26A1
SCHEMBL12465802 0.81 RARA (0.56) RARBRARGRARARXRACYP26A1
SCHEMBL10563217 0.81 RARB (0.70) RARBRARGRARARXRACYP26A1
SCHEMBL10566002 0.80 RARB (0.55) RARBRARGRARARXRACYP26A1
SCHEMBL10933609 0.80 RARB (0.57) RARBRARGRARARXRACYP26A1
SCHEMBL9095816 0.79 RARG (0.75) RARBRARGRARARXRACYP26A1
Terephthalic Acid SCHEMBL27345449 0.78 RARB (0.66) RARBRARGRARARXRACYP26A1

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