SCHEMBL19901844

SCHEMBL19901844

CC(C)(C)OC(=O)N[C@H](CCc1ccc(I)cc1)C(N)=O

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.53
CTSS P25774 7/20 0.53
ALB P02768 1/20 0.47
CA2 P00918 2/20 0.45
PPARA Q07869 6/20 0.43
PPARG P37231 5/20 0.43
REN P00797 2/20 0.42
PPARD Q03181 2/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41

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
SCHEMBL19033721 0.88 CTSK (0.54) CTSKCTSSCA2PPARAPPARG
SCHEMBL2075220 0.87 REN (0.53) CTSKCTSSPPARAPPARGREN
SCHEMBL2730114 0.87 REN (0.53) CTSKCTSSPPARAPPARGREN
SCHEMBL2728071 0.87 REN (0.53) CTSKCTSSPPARAPPARGREN
SCHEMBL6802106 0.87 CTSK (0.68) CTSKCTSSPPARAPPARGREN
SCHEMBL16384170 0.85 PPARA (0.54) CTSKCTSSCA2PPARAPPARG
SCHEMBL5447774 0.84 CTSK (0.52) CTSKCTSS
SCHEMBL16945658 0.84 CTSK (0.52) CTSKCTSS
SCHEMBL10077582 0.80 CTSS (0.53) CTSKCTSSPPARAPPARGPPARD
SCHEMBL15802560 0.80 PTPN1 (0.47) CTSKCTSSCA2PPARAPPARG

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-9902688-B2 Benzamides and nicotinamides as Syk modulators PORTOLA PHARMACEUTICALS, INC. (US) 2018-02-27 US disclosed