SCHEMBL29068164

SCHEMBL29068164

CC(C)(C)NC(=O)O[C@@H](CN=[N+]=[N-])CC1CC1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 4/20 0.36
▸ CTSS P25774 2/20 0.36
▸ AAK1 Q2M2I8 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
SCHEMBL29068094 0.79 CNR2 (0.33) —
SCHEMBL29067929 0.79 CNR2 (0.33) —
SCHEMBL29067932 0.79 CNR2 (0.33) —
SCHEMBL29068145 0.78 CTSK (0.42) CTSKCTSSAAK1
SCHEMBL29068024 0.77 CTSK (0.41) CTSKCTSSAAK1
SCHEMBL28349935 0.76 MEN1 (0.33) CTSKCTSS
SCHEMBL30453240 0.76 CTSK (0.47) CTSKCTSSAAK1
SCHEMBL30452308 0.76 CTSK (0.47) CTSKCTSSAAK1
SCHEMBL29068166 0.76 CTSK (0.47) CTSKCTSSAAK1
SCHEMBL28434896 0.74 CTSK (0.43) CTSKCTSS

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-116669727-A Triazole-pyridinyl substituted azacyclohexylacetic acid compounds as LPA receptor antagonists 唯久生物有限公司 2023-08-29 — — CN disclosed
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