SCHEMBL31008158

SCHEMBL31008158

COC(=O)C1CCN(C(=O)OC(C)(C)C)C(CC=O)C1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ OPRK1 P41145 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ HPGD P15428 1/20 0.36
▸ RECQL P46063 1/20 0.35
▸ PTPN2 P17706 1/20 0.35
▸ PTPN1 P18031 1/20 0.35
▸ PTPN6 P29350 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ CHRM2 P08172 1/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ CHRM3 P20309 1/20 0.34
▸ GAA P10253 1/20 0.34

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
SCHEMBL23487150 0.87 SMN1; SMN2 (0.41) SMN1; SMN2OPRK1HSD17B10HPGDRECQL
SCHEMBL31320075 0.87 SMN1; SMN2 (0.41) SMN1; SMN2OPRK1HSD17B10HPGDRECQL
SCHEMBL7841633 0.82 ATM (0.39) SMN1; SMN2OPRK1HSD17B10HPGDRECQL
SCHEMBL30566525 0.82 HSD17B10 (0.39) SMN1; SMN2HSD17B10HPGDALDH1A1CHRM2
SCHEMBL15594469 0.82 HSD17B10 (0.39) SMN1; SMN2HSD17B10HPGDALDH1A1CHRM2
SCHEMBL23695127 0.80 HSD17B10 (0.41) SMN1; SMN2HSD17B10HPGDRECQLPTPN2
SCHEMBL23695128 0.80 HSD17B10 (0.41) SMN1; SMN2HSD17B10HPGDRECQLPTPN2
SCHEMBL24962291 0.79 SMN1; SMN2 (0.35) SMN1; SMN2OPRK1HSD17B10HPGDALDH1A1
SCHEMBL21679124 0.79 SMN1; SMN2 (0.43) SMN1; SMN2HSD17B10HPGDRECQLPTPN2
SCHEMBL14157186 0.79 SMN1; SMN2 (0.43) SMN1; SMN2HSD17B10HPGDRECQLPTPN2

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
CN-118488957-A Spirotricyclic RIPK1 inhibitors and methods of use thereof 默沙东有限责任公司 2024-08-13 — — CN disclosed
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