SCHEMBL29068024

SCHEMBL29068024

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

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 6/20 0.41
▸ CTSS P25774 2/20 0.41
▸ AAK1 Q2M2I8 2/20 0.38
▸ CPB2 Q96IY4 2/20 0.37
▸ CTSL P07711 2/20 0.33
▸ CTSB P07858 2/20 0.33
▸ CTSH P09668 2/20 0.33
▸ KMT2A Q03164 2/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ CNR2 P34972 1/20 0.30

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
SCHEMBL27834087 0.92 CPB2 (0.45) CTSKCTSSAAK1CPB2CTSL
SCHEMBL29068145 0.85 CTSK (0.42) CTSKCTSSAAK1CPB2CTSL
SCHEMBL29271806 0.80 PRKCA (0.37) MAPT
SCHEMBL28680208 0.80 PRKCA (0.37) MAPT
SCHEMBL27726431 0.78 CTSK (0.38) CTSKCTSSCTSLCTSB
SCHEMBL27834093 0.78 CTSK (0.38) CTSKCTSSCTSLCTSB
SCHEMBL27910718 0.78 CTSK (0.38) CTSKCTSSCTSLCTSB
SCHEMBL19385603 0.77 CTSK (0.41) CTSKCTSSCPB2CTSLCTSB
SCHEMBL29068164 0.77 CTSK (0.36) CTSKCTSSAAK1
SCHEMBL27832484 0.77 CTSK (0.40) 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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