SCHEMBL4566634

SCHEMBL4566634

CC(C)(C)OC(=O)CCC1Cc2cc(-c3noc(-c4ccc(Br)c(Cl)c4)n3)ccc2N1C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 19/20 0.42
S1PR3 Q99500 3/20 0.39
MAP4K4 O95819 1/20 0.36
MINK1 Q8N4C8 1/20 0.36

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
SCHEMBL4566635 1.00 S1PR1 (0.42) S1PR1S1PR3MAP4K4MINK1
SCHEMBL4427175 0.94 S1PR1 (0.44) S1PR1S1PR3MAP4K4MINK1
SCHEMBL4419465 0.89 CASP3 (0.46) S1PR1S1PR3
SCHEMBL4419469 0.89 CASP3 (0.46) S1PR1S1PR3
SCHEMBL4434720 0.83 S1PR1 (0.46) S1PR1S1PR3
SCHEMBL4426387 0.83 S1PR1 (0.47) S1PR1S1PR3
SCHEMBL4425933 0.82 S1PR1 (0.56) S1PR1S1PR3MAP4K4MINK1
SCHEMBL4422244 0.82 S1PR1 (0.58) S1PR1S1PR3
SCHEMBL4434619 0.80 S1PR1 (0.58) S1PR1S1PR3
SCHEMBL4434625 0.80 S1PR1 (0.58) S1PR1S1PR3

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
WO-2009151626-A1 SUBSTITUTED (1, 2, 4-0XADIAZ0L-3-YL) INDOLIN-1-YL CARBOXYLIC ACID DERIVATIVES USEFUL AS S1P1 AGONISTS ARENA PHARMACEUTICALS, INC. (US) 2009-12-17 WO disclosed