SCHEMBL8169269

SCHEMBL8169269

CC1(C)CCC(C)(C)c2cc(Oc3ccc(C(O)=CC(=O)O)cc3)ccc21

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 12/20 0.72
RXRB P28702 8/20 0.72
RXRG P48443 6/20 0.72
RARB P10826 12/20 0.49
RARG P13631 12/20 0.49
RARA P10276 9/20 0.49
CYP26A1 O43174 4/20 0.49
CYP26B1 Q9NR63 2/20 0.49
CYP3A4 P08684 2/20 0.48
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
GMNN O75496 1/20 0.46
USP2 O75604 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
POLB P06746 1/20 0.46
CYP2D6 P10635 1/20 0.46
NFKB1 P19838 1/20 0.46

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
SCHEMBL5681944 0.88 RXRA (0.71) RXRARXRBRXRGRARBRARG
SCHEMBL5681942 0.88 RXRA (0.71) RXRARXRBRXRGRARBRARG
SCHEMBL8157745 0.88 RXRA (0.71) RXRARXRBRXRGRARBRARG
SCHEMBL7720657 0.84 RXRA (1.00) RXRARXRBRXRGRARBRARG
SCHEMBL8165219 0.84 RXRA (0.64) RXRARXRBRXRGRARBRARG
SCHEMBL7720632 0.81 RXRA (0.78) RXRARXRBRXRGRARBRARG
SCHEMBL8005377 0.79 RXRA (0.74) RXRARXRBRXRGRARBRARG
SCHEMBL5684444 0.78 CYP26A1 (0.68) RXRARXRBRXRGRARBRARG
SCHEMBL5684446 0.78 CYP26A1 (0.68) RXRARXRBRXRGRARBRARG
SCHEMBL5680238 0.78 RXRA (0.81) RXRARXRBRXRGRARBRARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5985928-A HUMAN OR VETERINARY MEDICINE FOR EXAMPLE DERMATOLOGICAL, RHEUMATIC, RESPIRATORY, CARDIOVASCULAR AND OPHTHALMOLOGICAL DISORDERS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1999-11-16 US claimed
EP-0722928-B1 Bicyclic-aromatic compounds with strong biologic activity, pharmaceutical and cosmetic compositions containing them and uses thereof CIRD GALDERMA (FR) 1997-08-06 EP claimed
US-6156750-A Bioactive bicyclic aromatic compounds and pharmaceutical/cosmetic compositions comprised thereof CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 2000-12-05 US disclosed
US-5985928-A HUMAN OR VETERINARY MEDICINE FOR EXAMPLE DERMATOLOGICAL, RHEUMATIC, RESPIRATORY, CARDIOVASCULAR AND OPHTHALMOLOGICAL DISORDERS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1999-11-16 US disclosed
US-5763487-A SKIN DISORDERS, CARDIOVASCULAR DISORDERS AND COSMETICS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1998-06-09 US disclosed