SCHEMBL22820950

SCHEMBL22820950

C=C1CCN(C(=O)OC(C)(C)C)C1C

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.38
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.37
NR1H2 P55055 1/20 0.37
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
HPGD P15428 1/20 0.36
UCHL1 P09936 1/20 0.35
GPR119 Q8TDV5 1/20 0.35

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
SCHEMBL17535995 0.83 CHRM2 (0.38) NPC1USP2SMN1; SMN2HSD17B10NR1H2
SCHEMBL24918232 0.81 USP2 (0.39) USP2SMN1; SMN2HSD17B10NR1H2CHRM2
SCHEMBL16224559 0.81 USP2 (0.39) USP2SMN1; SMN2HSD17B10NR1H2CHRM2
SCHEMBL2395205 0.81 USP2 (0.39) USP2SMN1; SMN2HSD17B10NR1H2CHRM2
SCHEMBL6745485 0.80 SETD7 (0.38) USP2SMN1; SMN2HSD17B10NR1H2CHRM2
SCHEMBL26537645 0.80 SETD7 (0.38) USP2SMN1; SMN2HSD17B10NR1H2CHRM2
SCHEMBL24267329 0.80 SETD7 (0.38) USP2SMN1; SMN2HSD17B10NR1H2CHRM2
SCHEMBL750363 0.78 PDE4B (0.39) NPC1NR1H2
SCHEMBL4561006 0.78 NPC1 (0.36) NPC1USP2SMN1; SMN2HSD17B10NR1H2
SCHEMBL22820871 0.78 USP2 (0.36) NPC1USP2SMN1; SMN2HSD17B10NR1H2

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-2020257549-A2 COMPOUNDS FOR TREATMENT OF PD-L1 DISEASES CHEMOCENTRYX, INC. (US) 2020-12-24 WO disclosed