SCHEMBL8555469

SCHEMBL8555469

CC1(C)CCC(C)(C)c2cc(C(C(N)=O)C(=O)OC(=O)c3ccccc3)ccc21

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RXRA P19793 9/20 0.49
RXRB P28702 7/20 0.49
RARB P10826 11/20 0.46
RARG P13631 11/20 0.46
RARA P10276 8/20 0.46
CYP3A4 P08684 4/20 0.46
CYP26A1 O43174 3/20 0.46
CYP26B1 Q9NR63 1/20 0.46
RXRG P48443 5/20 0.42
PPARG P37231 1/20 0.40
CRABP2 P29373 1/20 0.39

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
SCHEMBL8555653 0.84 RXRA (0.47) RXRARXRBRARBRARGRARA
SCHEMBL8100699 0.82 RXRA (0.47) RXRARXRBRARBRARGRARA
SCHEMBL8557721 0.80 RXRA (0.46) RXRARXRBRARBRARGRARA
SCHEMBL8103031 0.79 RXRA (0.57) RXRARXRBRARBRARGRARA
SCHEMBL8706122 0.78 RXRA (0.56) RXRARXRBRARBRARGRARA
SCHEMBL8556008 0.75 RXRA (0.48) RXRARXRBRARBRARGRARA
SCHEMBL8839167 0.75 RXRA (0.51) RXRARXRBRARBRARGRARA
SCHEMBL8681659 0.74 RXRA (0.52) RXRARXRBRARBRARGRARA
SCHEMBL8708199 0.74 RARB (0.57) RXRARXRBRARBRARGRARA
SCHEMBL8100914 0.73 RXRA (0.48) RXRARXRBRARBRARGRARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5709867-A TREATMENT OF DERMATOLOGICAL, RHEUMATIC, RESPIRATORY, CARDIOVASCULAR, AND OPHTHALMOLOGICAL DISORDERS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1998-01-20 US claimed
US-5709867-A TREATMENT OF DERMATOLOGICAL, RHEUMATIC, RESPIRATORY, CARDIOVASCULAR, AND OPHTHALMOLOGICAL DISORDERS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1998-01-20 US disclosed