SCHEMBL8557720

SCHEMBL8557720

COC(=O)C(C(=O)Nc1ccccc1C(=O)O)c1ccc2c(c1)C(C)(C)CCC2(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 10/20 0.48
RARG P13631 10/20 0.48
CYP26A1 O43174 4/20 0.48
CYP3A4 P08684 4/20 0.48
RARA P10276 8/20 0.47
RXRA P19793 3/20 0.45
RXRB P28702 1/20 0.45
CYP26B1 Q9NR63 1/20 0.42
MAPK1 P28482 2/20 0.41
POLB P06746 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PPARG P37231 2/20 0.40
CFD P00746 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 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
SCHEMBL8555466 0.90 RARB (0.50) RARBRARGCYP26A1CYP3A4RARA
SCHEMBL8555651 0.89 RARB (0.49) RARBRARGCYP26A1CYP3A4RARA
SCHEMBL8839161 0.84 RXRA (0.51) RARBRARGCYP26A1CYP3A4RARA
SCHEMBL8556007 0.84 RARB (0.50) RARBRARGCYP26A1CYP3A4RARA
SCHEMBL8555829 0.82 RARB (0.48) RARBRARGCYP26A1CYP3A4RARA
SCHEMBL8100902 0.81 RARB (0.60) RARBRARGCYP26A1CYP3A4RARA
SCHEMBL8108587 0.79 RXRA (0.53) RARBRARGCYP26A1CYP3A4RARA
Hydrochloric Acid SCHEMBL8092985 0.78 RXRA (0.52) RARBRARGCYP26A1CYP3A4RARA
SCHEMBL8557721 0.77 RXRA (0.46) RARBRARGCYP26A1CYP3A4RARA
SCHEMBL8557895 0.76 RXRA (0.46) RARBRARGCYP26A1CYP3A4RARA

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