SCHEMBL7799686

SCHEMBL7799686

CC1(c2ccc3ccccc3c2)COc2ccc(C=O)cc21

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SLC6A4 P31645 8/20 0.36
SLC6A3 Q01959 8/20 0.36
RAB9A P51151 1/20 0.35
SLC6A2 P23975 5/20 0.34
RARA P10276 1/20 0.34
RARB P10826 1/20 0.34
RARG P13631 1/20 0.34
HTR1A P08908 1/20 0.33
HTR7 P34969 1/20 0.33
HTR2B P41595 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL7799688 0.83 KDM4E (0.45) HSD17B10RAB9A
SCHEMBL7799685 0.83 KDM4E (0.45) HSD17B10RAB9A
SCHEMBL6740646 0.81 CYP26A1 (0.41) ALDH1A1HSD17B10TDP1RAB9ARARA
SCHEMBL7802938 0.79 RARA (0.48) ALDH1A1SLC6A4SLC6A3RARARARB
SCHEMBL7802947 0.79 ALOX5 (0.50) ALDH1A1RAB9A
SCHEMBL7802946 0.79 ALOX5 (0.50) ALDH1A1RAB9A
SCHEMBL7803929 0.78 ALDH1A1 (0.38) ALDH1A1HSD17B10TDP1RARARARB
SCHEMBL7794100 0.77 ALDH1A1 (0.37) ALDH1A1HSD17B10TDP1RARARARB
SCHEMBL8094176 0.76 RARB (0.48) ALDH1A1TDP1SLC6A4SLC6A3RAB9A
SCHEMBL1390674 0.74 RARB (0.53) ALDH1A1HSD17B10TDP1RAB9ARARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0882033-B1 BENZOFURAN-ACRYLIC ACID DERIVATIVES AND THEIR USE AS MODULATORS OF RXRS OR RARS RECEPTORS CT INTERNAT DE RECH S (FR) 2001-08-16 EP disclosed
US-6030952-A AS HUMAN AND VETERINARY MEDICINE, PARTICULARLY IN THE TREATMENT OF DERMATOLOGICAL, RHEUMATIC, RESPIRATORY, CARDIOVASCULAR AND OPHTHALMOLOGIC CONDITIONS, AND IN COSMETIC COMPOSITIONS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIOUES GALDERMA (FR) 2000-02-29 US disclosed
EP-0882033-A1 BENZOFURAN-ACRYLIC ACID DERIVATIVES AND THEIR USE AS MODULATORS OF RXRS OR RARS RECEPTORS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA, ( CIRD GALDERMA) (FR) 1998-12-09 EP disclosed
WO-1998024778-A1 BENZOFURAN-ACRYLIC ACID DERIVATIVES AND THEIR USE AS MODULATORS OF RXRS OR RARS RECEPTORS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (C.I.R.D. GALDERMA) (FR) 1998-06-11 WO disclosed