SCHEMBL8014653

SCHEMBL8014653

COC(=O)c1ccc(Oc2cc3c(cc2Br)C(C)(C)CCC3(C)C)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 8/20 0.55
CYP3A4 P08684 3/20 0.54
CYP26A1 O43174 2/20 0.50
RXRB P28702 1/20 0.49
RXRG P48443 1/20 0.49
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
POLB P06746 1/20 0.44
RARA P10276 3/20 0.43
RARB P10826 3/20 0.43
RARG P13631 3/20 0.43
TDP1 Q9NUW8 1/20 0.41
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
MMP9 P14780 1/20 0.41
MMP13 P45452 1/20 0.41
MAPT P10636 1/20 0.41
HNF4A P41235 1/20 0.41
KMT2A Q03164 1/20 0.40
USP2 O75604 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
SCHEMBL6822271 0.86 RXRA (0.73) RXRACYP3A4CYP26A1RXRBRXRG
SCHEMBL6907114 0.85 RXRA (0.76) RXRACYP3A4CYP26A1RXRBRXRG
SCHEMBL8016720 0.83 CYP3A4 (0.56) RXRACYP3A4CYP26A1RXRBRXRG
SCHEMBL8016426 0.82 RXRA (0.53) RXRACYP3A4CYP26A1RXRBRXRG
SCHEMBL8005377 0.81 RXRA (0.74) RXRACYP3A4CYP26A1RXRBRXRG
SCHEMBL6372600 0.80 RXRA (0.60) RXRACYP26A1RXRBRXRGRARA
SCHEMBL8157751 0.78 PDE4B (0.49) RXRA
SCHEMBL27147481 0.78 TDP1 (0.54) CA1CA2POLBTDP1MMP13
SCHEMBL27145466 0.78 TDP1 (0.54) CA1CA2POLBTDP1MMP13
SCHEMBL2788640 0.75 CYP3A4 (0.70) RXRACYP3A4CYP26A1RXRBRXRG

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