SCHEMBL29068106

SCHEMBL29068106

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

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ANPEP P15144 2/20 0.33
▸ ENPEP Q07075 2/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ ALOX5 P09917 1/20 0.32
▸ CTSS P25774 1/20 0.31
▸ CTSK P43235 1/20 0.31
▸ SLC1A3 P43003 2/20 0.31
▸ SLC1A2 P43004 2/20 0.31
▸ SLC1A1 P43005 2/20 0.31
▸ CHRM2 P08172 1/20 0.31
▸ CHRM4 P08173 1/20 0.31
▸ CHRM5 P08912 1/20 0.31
▸ CHRM1 P11229 1/20 0.31
▸ CHRM3 P20309 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ PRKCA P17252 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
SCHEMBL29068108 1.00 ANPEP (0.33) ANPEPENPEPTDP1ALOX5CTSS
SCHEMBL28821271 0.93 ANPEP (0.30) ANPEPENPEP
SCHEMBL28821269 0.93 ANPEP (0.30) ANPEPENPEP
SCHEMBL29065552 0.92 ALOX5 (0.36) ANPEPALOX5CTSKSLC1A3SLC1A2
SCHEMBL29067937 0.84 ANPEP (0.33) ANPEPENPEPTDP1ALOX5CTSS
SCHEMBL29067935 0.84 ANPEP (0.33) ANPEPENPEPTDP1ALOX5CTSS
SCHEMBL2480097 0.78 — —
SCHEMBL9219383 0.75 ANPEP (0.38) ANPEP
SCHEMBL29067932 0.74 CNR2 (0.33) —
SCHEMBL14784713 0.73 LMNA (0.48) ANPEPENPEPTDP1CTSKCHRM2

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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