SCHEMBL8014342

SCHEMBL8014342

CCc1cc2c(cc1Oc1ccc(C(=O)OC)cc1C)C(C)(C)CCC2(C)C

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RXRA P19793 15/20 0.50
CYP3A4 P08684 3/20 0.46
CYP26A1 O43174 2/20 0.43
MGLL Q99685 1/20 0.43
HNF4A P41235 2/20 0.42
RXRG P48443 4/20 0.40
RXRB P28702 3/20 0.40
RARA P10276 1/20 0.40
RARB P10826 1/20 0.40
RARG P13631 1/20 0.40

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
SCHEMBL7716696 0.88 RXRA (0.62) RXRACYP26A1HNF4ARXRGRXRB
SCHEMBL8016720 0.85 CYP3A4 (0.56) RXRACYP3A4CYP26A1HNF4ARXRG
SCHEMBL6907114 0.78 RXRA (0.76) RXRACYP3A4CYP26A1RXRGRXRB
SCHEMBL7898993 0.76 CYP3A4 (0.73) RXRACYP3A4CYP26A1RXRGRXRB
SCHEMBL7721760 0.75 RXRA (0.71) RXRACYP3A4CYP26A1HNF4ARXRG
SCHEMBL2788640 0.74 CYP3A4 (0.70) RXRACYP3A4CYP26A1RXRGRXRB
SCHEMBL6903012 0.73 RXRA (0.74) RXRACYP3A4CYP26A1RXRGRXRB
SCHEMBL6236296 0.72 RXRA (0.55) RXRACYP3A4CYP26A1HNF4ARXRG
SCHEMBL14966394 0.72 MGLL (0.46) MGLL
SCHEMBL6238178 0.72 RXRA (0.56) RXRACYP3A4CYP26A1HNF4ARXRG

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
US-6162815-A RXR-agonist polycyclic aromatic compounds, pharmaceutical/cosmetic compositions comprising said compound and uses thereof CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 2000-12-19 US disclosed
US-6156788-A Polycyclic aromatic compounds and pharmaceutical/cosmetic compositions comprised thereof CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 2000-12-05 US disclosed
US-6015569-A PYRIDINE OR PYRROLE DERIVATIVES OF POLYCYCLIC AROMATICS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 2000-01-18 US disclosed
US-5766610-A USEFUL FOR TREATMENT OF MAMMALIAN SKIN AND HAIR, RHEUMATISM, RESIPIRATORY SYSTEM DISORDER, CARDIOVASCULAR AND VISION DISORDERS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1998-06-16 US disclosed