SCHEMBL2228500

SCHEMBL2228500

CC1C2CC(CN2C(=O)OC(C)(C)C)N1C(=O)C(NC(=O)OCc1ccccc1)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.43
CTSL P07711 1/20 0.43
SYK P43405 1/20 0.43
P2RX7 Q99572 6/20 0.41
AGTR2 P50052 1/20 0.41
BACE1 P56817 1/20 0.40
CAPN1 P07384 1/20 0.40
CASP1 P29466 1/20 0.39
CASP3 P42574 1/20 0.39
CASP2 P42575 1/20 0.39
CASP4 P49662 1/20 0.39
CASP5 P51878 1/20 0.39
CASP7 P55210 1/20 0.39
CASP9 P55211 1/20 0.39
CASP8 Q14790 1/20 0.39
CASP10 Q92851 1/20 0.39
GPR119 Q8TDV5 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
SCHEMBL1931615 0.86 ABCB1 (0.46) ABCB1CTSLSYKP2RX7CAPN1
SCHEMBL2229274 0.85 SYK (0.45) ABCB1CTSLSYKP2RX7CAPN1
SCHEMBL2229278 0.85 SYK (0.45) ABCB1CTSLSYKP2RX7CAPN1
SCHEMBL2228512 0.78 PDK1 (0.51) CTSLSYKP2RX7BACE1
SCHEMBL2228519 0.78 PDK1 (0.51) CTSLSYKP2RX7BACE1
SCHEMBL2228517 0.78 PDK1 (0.51) CTSLSYKP2RX7BACE1
SCHEMBL14964310 0.78 CASP1 (0.45) CTSLCAPN1CASP1CASP3CASP2
SCHEMBL16474261 0.76 CASP1 (0.44) CTSLCAPN1CASP1CASP3CASP2
SCHEMBL12237104 0.75 CTSL (0.47) CTSLSYKCAPN1CASP1CASP3
SCHEMBL3051377 0.75 CTSL (0.47) CTSLSYKCASP1

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-2011091407-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLP (US) 2011-07-28 WO disclosed