SCHEMBL7720646

SCHEMBL7720646

CC1(C)CCC(C)(C)c2cc([S+]([O-])c3ccc(C(=O)O)cc3)ccc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 14/20 0.62
RARB P10826 11/20 0.62
RXRB P28702 10/20 0.62
RARG P13631 9/20 0.62
RXRG P48443 6/20 0.62
RARA P10276 7/20 0.59
CYP26A1 O43174 3/20 0.58
CYP3A4 P08684 3/20 0.58
CRABP2 P29373 1/20 0.58
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
ALDH1A1 P00352 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.56
TSHR P16473 1/20 0.56
MAPK1 P28482 1/20 0.56
CYP2C19 P33261 1/20 0.56
PGR P06401 1/20 0.56
ADORA3 P0DMS8 1/20 0.56
TBXA2R P21731 1/20 0.56

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
SCHEMBL8677585 0.83 RXRA (0.62) RXRARARBRXRBRARGRXRG
SCHEMBL8021247 0.82 RARB (0.56) RXRARARBRXRBRARGRXRG
SCHEMBL6881248 0.81 RARB (0.67) RXRARARBRXRBRARGRXRG
SCHEMBL846110 0.80 RARB (0.81) RXRARARBRXRBRARGRXRG
SCHEMBL29827631 0.80 RARB (0.81) RXRARARBRXRBRARGRXRG
SCHEMBL6881859 0.78 RARB (0.70) RXRARARBRXRBRARGRXRG
Hydrochloric Acid SCHEMBL9120757 0.78 RARB (0.78) RXRARARBRXRBRARGRXRG
SCHEMBL8165171 0.77 RARB (0.48) RXRARARBRXRBRARGRXRG
SCHEMBL10355871 0.77 RXRA (1.00) RXRARARBRXRBRARGRXRG
SCHEMBL9319026 0.77 RXRA (0.77) RXRARARBRXRBRARGRXRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6391287-B1 STORAGE STABLE COMPOSITIONS L'OREAL (FR) 2002-05-21 US claimed
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 claimed
EP-0679630-B1 Bicyclic aromatic compounds, pharmaceutical and cosmetic compositions containing them and uses CIRD GALDERMA (FR) 1998-05-06 EP claimed
US-6391287-B1 STORAGE STABLE COMPOSITIONS L'OREAL (FR) 2002-05-21 US disclosed
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