SCHEMBL8558683

SCHEMBL8558683

CC(=O)OCC(NC(=O)c1ccccc1C(=O)O)c1ccc2c(c1)C(C)(C)CCC2(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.45
CYP26A1 O43174 4/20 0.45
CYP26B1 Q9NR63 1/20 0.45
RXRA P19793 6/20 0.43
RXRB P28702 4/20 0.43
RARB P10826 10/20 0.41
RARG P13631 10/20 0.41
RARA P10276 8/20 0.41
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
PGR P06401 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
TBXA2R P21731 1/20 0.38
BLVRB P30043 1/20 0.38

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
SCHEMBL8558461 0.86 RXRA (0.47) CYP3A4CYP26A1CYP26B1RXRARXRB
SCHEMBL8100960 0.85 CYP26A1 (0.57) CYP3A4CYP26A1CYP26B1RXRARXRB
SCHEMBL8557895 0.81 RXRA (0.46) CYP3A4CYP26A1CYP26B1RXRARXRB
SCHEMBL8093126 0.76 CYP26A1 (0.42) CYP3A4CYP26A1CYP26B1RXRARXRB
SCHEMBL9191681 0.72 CYP26A1 (0.48) CYP3A4CYP26A1CYP26B1RXRARXRB
SCHEMBL10460037 0.71 RXRA (0.49) CYP3A4CYP26A1CYP26B1RXRARXRB
SCHEMBL8108598 0.70 RXRA (0.62) CYP3A4CYP26A1CYP26B1RXRARXRB
SCHEMBL7762896 0.70 RXRA (0.65) CYP3A4CYP26A1CYP26B1RXRARXRB
SCHEMBL10459874 0.69 RXRA (0.64) CYP3A4CYP26A1CYP26B1RXRARXRB
SCHEMBL8555829 0.69 RARB (0.48) CYP3A4CYP26A1CYP26B1RXRARXRB

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