SCHEMBL22820871

SCHEMBL22820871

C/C=C1/CCN(C(=O)OC(C)(C)C)C1C

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NR1H2 P55055 2/20 0.35
HSD17B10 Q99714 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
HPGD P15428 1/20 0.34
NPC1 O15118 1/20 0.34
UCHL1 P09936 1/20 0.34
GPR119 Q8TDV5 1/20 0.33

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
SCHEMBL26024214 0.82 HSD17B10 (0.33) USP2SMN1; SMN2NR1H2HSD17B10CHRM2
SCHEMBL16224559 0.79 USP2 (0.39) USP2SMN1; SMN2NR1H2HSD17B10CHRM2
SCHEMBL2395205 0.79 USP2 (0.39) USP2SMN1; SMN2NR1H2HSD17B10CHRM2
SCHEMBL24918232 0.79 USP2 (0.39) USP2SMN1; SMN2NR1H2HSD17B10CHRM2
SCHEMBL22820950 0.78 NPC1 (0.38) USP2SMN1; SMN2NR1H2HSD17B10CHRM2
SCHEMBL24694360 0.77 USP30 (0.33) USP2SMN1; SMN2NR1H2HSD17B10
SCHEMBL31708282 0.75 ALDH1A1 (0.36) USP2SMN1; SMN2NR1H2HSD17B10CHRM2
SCHEMBL27117596 0.75 USP2 (0.36) USP2SMN1; SMN2NR1H2HSD17B10CHRM2
SCHEMBL4561006 0.75 NPC1 (0.36) USP2SMN1; SMN2NR1H2HSD17B10CHRM2
SCHEMBL4766170 0.73 HSD17B10 (0.42) HSD17B10CHRM2CHRM1CHRM3HPGD

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