SCHEMBL7794075

SCHEMBL7794075

COC(=O)C=Cc1ccc2c(c1)C(C)(c1ccc3c(c1)C(C)(C)CCC3(C)C)CO2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
CYP26A1 O43174 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP26B1 Q9NR63 1/20 0.45
RARB P10826 7/20 0.44
RARG P13631 7/20 0.44
RARA P10276 5/20 0.44
TTR P02766 1/20 0.40
APP P05067 1/20 0.40
PTPN1 P18031 1/20 0.39
RXRA P19793 4/20 0.38
RXRG P48443 3/20 0.38
EPHX2 P34913 1/20 0.38
RXRB P28702 1/20 0.38
JAK2 O60674 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL7794083 1.00 KDM4E (0.49) KDM4EALDH1A1CYP26A1CYP3A4CYP26B1
SCHEMBL7794214 0.89 CYP3A4 (0.45) KDM4EALDH1A1CYP26A1CYP3A4CYP26B1
SCHEMBL8094171 0.89 CYP3A4 (0.45) KDM4EALDH1A1CYP26A1CYP3A4CYP26B1
SCHEMBL7799680 0.89 CYP26A1 (0.60) KDM4ECYP26A1CYP3A4CYP26B1RARB
SCHEMBL7794061 0.89 CYP26A1 (0.60) KDM4ECYP26A1CYP3A4CYP26B1RARB
SCHEMBL7801866 0.82 CYP3A4 (0.45) KDM4EALDH1A1CYP26A1CYP3A4CYP26B1
SCHEMBL7800152 0.82 CYP3A4 (0.45) KDM4EALDH1A1CYP26A1CYP3A4CYP26B1
SCHEMBL6740646 0.81 CYP26A1 (0.41) KDM4EALDH1A1CYP26A1CYP3A4CYP26B1
SCHEMBL7801697 0.81 CYP26A1 (0.61) KDM4ECYP26A1CYP3A4CYP26B1RARB
SCHEMBL7801694 0.81 CYP26A1 (0.61) KDM4ECYP26A1CYP3A4CYP26B1RARB

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 2 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 disclosed