SCHEMBL7794100

SCHEMBL7794100

CC1(C)CCCc2cc(C3(C)COc4ccc(C=O)cc43)ccc21

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
RARB P10826 5/20 0.33
RARG P13631 5/20 0.33
RARA P10276 4/20 0.33
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
RXRA P19793 2/20 0.31
RXRB P28702 2/20 0.31
RXRG P48443 2/20 0.31
MCL1 Q07820 1/20 0.30
CYP26A1 O43174 1/20 0.30
CYP3A4 P08684 1/20 0.30

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
SCHEMBL7803929 0.92 ALDH1A1 (0.38) ALDH1A1HSD17B10TDP1RARBRARG
SCHEMBL6740646 0.86 CYP26A1 (0.41) ALDH1A1HSD17B10TDP1RARBRARG
SCHEMBL7800017 0.85 CYP26A1 (0.46) RARBRARGRARARXRACYP26A1
SCHEMBL7801878 0.85 CYP26A1 (0.46) RARBRARGRARARXRACYP26A1
SCHEMBL7793994 0.81 RXRA (0.47) ALDH1A1TDP1RARBRARGRARA
SCHEMBL7802951 0.81 ALOX5 (0.42) ALDH1A1GAAMAPTHPGDCYP3A4
SCHEMBL7801966 0.81 ALOX5 (0.42) ALDH1A1GAAMAPTHPGDCYP3A4
SCHEMBL8735855 0.80 ALDH1A1 (0.46) ALDH1A1HSD17B10TDP1RARBRARG
SCHEMBL8093767 0.78 RARB (0.47) ALDH1A1RARBRARGRARAMEN1
SCHEMBL7800010 0.78 CYP26A1 (0.47) ALDH1A1HSD17B10RARBRARGRARA

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