SCHEMBL8557895

SCHEMBL8557895

COC(=O)C(NC(=O)c1ccccc1C(=O)O)c1ccc2c(c1)C(C)(C)CCC2(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.46
RXRB P28702 1/20 0.46
RARB P10826 8/20 0.46
RARG P13631 8/20 0.46
RARA P10276 7/20 0.46
CYP3A4 P08684 4/20 0.46
CYP26A1 O43174 3/20 0.46
CYP26B1 Q9NR63 1/20 0.46
PPARG P37231 2/20 0.43
TACR3 P29371 7/20 0.43
TACR2 P21452 3/20 0.42
TSHR P16473 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NFKB1 P19838 1/20 0.42
MTOR P42345 1/20 0.42

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
SCHEMBL8106331 0.84 RXRA (0.60) RXRARXRBRARBRARGRARA
SCHEMBL8558683 0.81 CYP3A4 (0.45) RXRARXRBRARBRARGRARA
SCHEMBL8558461 0.81 RXRA (0.47) RXRARXRBRARBRARGRARA
SCHEMBL8557720 0.76 RARB (0.48) RXRARXRBRARBRARGRARA
SCHEMBL8555829 0.75 RARB (0.48) RXRARXRBRARBRARGRARA
SCHEMBL7762896 0.73 RXRA (0.65) RXRARXRBRARBRARGRARA
SCHEMBL8108587 0.73 RXRA (0.53) RXRARXRBRARBRARGRARA
SCHEMBL8100967 0.73 RXRA (0.64) RXRARXRBRARBRARGRARA
SCHEMBL8108641 0.73 CYP3A4 (0.45) RXRARXRBRARBRARGRARA
SCHEMBL10459874 0.72 RXRA (0.64) 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