SCHEMBL8561925

SCHEMBL8561925

CC(C)(C)OC(=O)NC(C(=O)NCC(=O)c1ccccc1)c1ccc2c(c1)C(C)(C)CCC2(C)C

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSS P25774 5/20 0.50
CTSK P43235 4/20 0.50
RXRA P19793 2/20 0.41
RXRB P28702 1/20 0.41
CYP26A1 O43174 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP26B1 Q9NR63 1/20 0.41
JAK3 P52333 1/20 0.40
BTK Q06187 1/20 0.40
CTSB P07858 2/20 0.39
CTSL P07711 1/20 0.39
RARB P10826 5/20 0.39
RARG P13631 5/20 0.39
RARA P10276 4/20 0.39
PPARG P37231 2/20 0.38
PPARD Q03181 2/20 0.38
PPARA Q07869 2/20 0.38
S1PR3 Q99500 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
SCHEMBL8561391 0.87 CTSS (0.48) CTSSCTSKCYP3A4CTSBCTSL
SCHEMBL8560537 0.84 CTSK (0.44) CTSSCTSKRXRARXRBCYP26A1
SCHEMBL8557343 0.83 CTSS (0.48) CTSSCTSKRXRARXRBCYP26A1
SCHEMBL8556496 0.79 RXRA (0.47) RXRARXRBCYP26A1CYP3A4CYP26B1
SCHEMBL8748829 0.78 RARB (0.55) RXRARXRBCYP26A1CYP3A4CYP26B1
SCHEMBL8100687 0.78 CYP3A4 (0.47) CYP3A4
SCHEMBL8100983 0.77 RARB (0.44) CTSSCTSKRXRARXRBCYP26A1
SCHEMBL8558167 0.76 CTSS (0.40) CTSSCTSKRXRARXRBCYP26A1
SCHEMBL8106743 0.76 MEN1 (0.42) CTSSCTSKRXRARXRBCYP26A1
SCHEMBL8102431 0.76 RARB (0.43) CTSSCTSKRXRARXRBCYP26A1

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 1 patent. 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 disclosed