SCHEMBL29072306

SCHEMBL29072306

CC(C)(C)OC(=O)N1CCC(N=[N+]=[N-])C[C@H]1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.43
▸ MMP2 P08253 1/20 0.40
▸ ANPEP P15144 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ LMNA P02545 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ CHRM2 P08172 1/20 0.35
▸ CHRM1 P11229 1/20 0.35
▸ CHRM3 P20309 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ UCHL1 P09936 1/20 0.32
▸ DPP7 Q9UHL4 2/20 0.32
▸ DPP8 Q6V1X1 1/20 0.32
▸ DPP9 Q86TI2 1/20 0.32
▸ HPGD P15428 1/20 0.32

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
SCHEMBL29072303 1.00 HSD17B10 (0.43) HSD17B10MMP2ANPEPSMN1; SMN2LMNA
SCHEMBL25369568 1.00 HSD17B10 (0.43) HSD17B10MMP2ANPEPSMN1; SMN2LMNA
SCHEMBL13962503 0.88 MMP2 (0.56) HSD17B10MMP2ANPEPSMN1; SMN2LMNA
SCHEMBL26715491 0.88 MMP2 (0.56) HSD17B10MMP2ANPEPSMN1; SMN2LMNA
SCHEMBL15221383 0.88 MMP2 (0.56) HSD17B10MMP2ANPEPSMN1; SMN2LMNA
SCHEMBL20705291 0.87 MMP2 (0.51) HSD17B10MMP2ANPEPSMN1; SMN2CHRM2
SCHEMBL29071685 0.87 MMP2 (0.51) HSD17B10MMP2ANPEPSMN1; SMN2CHRM2
SCHEMBL23038367 0.87 MMP2 (0.51) HSD17B10MMP2ANPEPSMN1; SMN2CHRM2
SCHEMBL13836866 0.87 MMP2 (0.51) HSD17B10MMP2ANPEPSMN1; SMN2CHRM2
SCHEMBL17859969 0.87 MMP2 (0.51) HSD17B10MMP2ANPEPSMN1; SMN2CHRM2

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-116348472-A Macrocyclic compounds 旭化成制药株式会社 2023-06-27 — — CN disclosed
Send feedback