SCHEMBL8099280

SCHEMBL8099280

C=C(COc1ccc(C(=O)OC)cc1I)c1cc2c(cc1Br)C(C)(C)CCC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 6/20 0.43
RXRB P28702 2/20 0.43
RXRG P48443 2/20 0.43
CYP3A4 P08684 4/20 0.39
CYP26A1 O43174 2/20 0.37
MGLL Q99685 1/20 0.34
ATM Q13315 1/20 0.34
MAPT P10636 4/20 0.33
KDM4E B2RXH2 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
POLB P06746 1/20 0.31
RARA P10276 1/20 0.31
RARB P10826 1/20 0.31
RARG P13631 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 2/20 0.31
OPRD1 P41143 1/20 0.31

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
SCHEMBL7799981 0.91 RXRA (0.51) RXRARXRBRXRGCYP3A4CYP26A1
SCHEMBL8086349 0.91 CYP3A4 (0.45) RXRARXRBRXRGCYP3A4CYP26A1
SCHEMBL8099423 0.87 CYP3A4 (0.43) RXRARXRBRXRGCYP3A4CYP26A1
SCHEMBL7802944 0.82 RXRA (0.48) RXRARXRBRXRGCYP3A4CYP26A1
SCHEMBL8101865 0.81 CYP3A4 (0.54) RXRARXRBRXRGCYP3A4CYP26A1
SCHEMBL8086450 0.80 CYP3A4 (0.47) RXRARXRBRXRGCYP3A4CYP26A1
SCHEMBL7801863 0.78 RXRA (0.48) RXRARXRBRXRGCYP3A4CYP26A1
SCHEMBL7802940 0.71 CYP26A1 (0.53) RXRARXRBRXRGCYP3A4CYP26A1
SCHEMBL8093197 0.71 CYP3A4 (0.54) RXRARXRBRXRGCYP3A4CYP26A1
SCHEMBL6733878 0.71 CYP3A4 (0.71) RXRARXRBRXRGCYP3A4CYP26A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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