SCHEMBL23157177

SCHEMBL23157177

CC(C)(C)OC(=O)N1CCCC1C(=O)OCC#N

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ ALDH1A1 P00352 4/20 0.46
▸ MAPT P10636 1/20 0.46
▸ NPC1 O15118 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ GLA P06280 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ FKBP1A P62942 2/20 0.44
▸ KLK7 P49862 1/20 0.44
▸ LMNA P02545 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ EPHX2 P34913 1/20 0.43
▸ CTSK P43235 1/20 0.43
▸ POLB P06746 1/20 0.42

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
SCHEMBL23735625 0.87 HSD17B10 (0.48) HSD17B10SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL440340 0.86 FKBP1A (0.58) HSD17B10SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL1401256 0.86 FKBP1A (0.58) HSD17B10SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL8223617 0.86 FKBP1A (0.58) HSD17B10SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL3206028 0.83 HSD17B10 (0.54) HSD17B10SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL4962228 0.83 HSD17B10 (0.54) HSD17B10SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL24358344 0.82 FKBP1A (0.64) HSD17B10SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL15893182 0.82 FKBP1A (0.64) HSD17B10SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL9933627 0.82 HSD17B10 (0.53) HSD17B10SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL15828464 0.82 HSD17B10 (0.53) HSD17B10SMN1; SMN2MEN1KMT2AALDH1A1

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
EP-2813512-B1 PEPTIDE-COMPOUND CYCLIZATION METHOD CHUGAI PHARMACEUTICAL CO LTD (JP) 2021-03-31 — — EP disclosed
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