SCHEMBL29068145

SCHEMBL29068145

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

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 6/20 0.42
▸ CTSS P25774 2/20 0.42
▸ AAK1 Q2M2I8 1/20 0.36
▸ PRKCA P17252 1/20 0.34
▸ CTSL P07711 2/20 0.34
▸ CTSB P07858 2/20 0.34
▸ CTSH P09668 2/20 0.34
▸ CPB2 Q96IY4 1/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ GBA1 P04062 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ CNR2 P34972 1/20 0.31
▸ NR1H2 P55055 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
SCHEMBL29068024 0.85 CTSK (0.41) CTSKCTSSAAK1CTSLCTSB
SCHEMBL27984648 0.80 CNR2 (0.36) CTSKCTSLCTSBCTSHKMT2A
SCHEMBL29273401 0.79 PRKCA (0.38) CTSKPRKCACTSLCTSBKMT2A
SCHEMBL27834087 0.78 CPB2 (0.45) CTSKCTSSAAK1CTSLCTSB
SCHEMBL28965205 0.77 PRKCA (0.44) PRKCAGBA1
SCHEMBL29271806 0.77 PRKCA (0.37) PRKCAGBA1MAPT
SCHEMBL27910728 0.77 PRKCA (0.37) PRKCAGBA1MAPT
SCHEMBL28680208 0.77 PRKCA (0.37) PRKCAGBA1MAPT
SCHEMBL28692700 0.77 PRKCA (0.44) PRKCAGBA1
SCHEMBL27895298 0.77 PRKCA (0.37) PRKCAGBA1MAPT

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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