SCHEMBL7801966

SCHEMBL7801966

CCOC(=O)C=Cc1ccc2c(c1)C(C)(c1ccc3c(c1)CCCC3(C)C)CO2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.42
TTR P02766 1/20 0.40
DPP4 P27487 1/20 0.40
ALDH1A1 P00352 8/20 0.39
KDM4E B2RXH2 8/20 0.39
HPGD P15428 2/20 0.38
MAOB P27338 1/20 0.38
BACE1 P56817 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
CYP3A4 P08684 1/20 0.37
FDPS P14324 1/20 0.37
NPC1 O15118 1/20 0.36
CASP3 P42574 1/20 0.36

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
SCHEMBL7802951 1.00 ALOX5 (0.42) ALOX5TTRDPP4ALDH1A1KDM4E
SCHEMBL7794091 0.94 ALOX5 (0.43) ALOX5TTRDPP4ALDH1A1KDM4E
SCHEMBL7794089 0.94 ALOX5 (0.43) ALOX5TTRDPP4ALDH1A1KDM4E
SCHEMBL8094171 0.89 CYP3A4 (0.45) ALOX5TTRDPP4ALDH1A1KDM4E
SCHEMBL7794214 0.89 CYP3A4 (0.45) ALOX5TTRDPP4ALDH1A1KDM4E
SCHEMBL7801878 0.87 CYP26A1 (0.46) KDM4ECYP3A4
SCHEMBL7800017 0.87 CYP26A1 (0.46) KDM4ECYP3A4
SCHEMBL7800152 0.82 CYP3A4 (0.45) ALOX5TTRDPP4ALDH1A1KDM4E
SCHEMBL7802947 0.82 ALOX5 (0.50) ALOX5TTRDPP4ALDH1A1KDM4E
SCHEMBL7801866 0.82 CYP3A4 (0.45) ALOX5TTRDPP4ALDH1A1KDM4E

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 3 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 claimed
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 claimed
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