SCHEMBL27488396

SCHEMBL27488396

CC(C)C[C@H](N)C(=O)NC=Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LARS1 Q9P2J5 3/20 0.52
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
GRIK1 P39086 2/20 0.43
GRIK2 Q13002 2/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ANPEP P15144 1/20 0.42
RNPEP Q9H4A4 1/20 0.42
DNPEP Q9ULA0 1/20 0.42
LMNA P02545 1/20 0.42
HTR2A P28223 3/20 0.41
CTSC P53634 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41

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
Hydrochloric Acid SCHEMBL27507458 0.99 LARS1 (0.51) LARS1NPC1RAB9AGRIK1GRIK2
Hydrochloric Acid SCHEMBL27530776 0.99 LARS1 (0.51) LARS1NPC1RAB9AGRIK1GRIK2
SCHEMBL28807151 0.83 NPC1 (0.54) NPC1RAB9AALDH1A1SMN1; SMN2LMNA
SCHEMBL28807150 0.83 NPC1 (0.54) NPC1RAB9AALDH1A1SMN1; SMN2LMNA
SCHEMBL13881969 0.79 NPC1 (0.58) NPC1RAB9AALDH1A1SMN1; SMN2LMNA
SCHEMBL27649260 0.75 NPC1 (0.53) NPC1RAB9AALDH1A1SMN1; SMN2LMNA
SCHEMBL335155 0.75 TDP1 (0.45) LARS1NPC1RAB9AALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL334596 0.74 TDP1 (0.44) LARS1NPC1RAB9AALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL334595 0.74 TDP1 (0.44) LARS1NPC1RAB9AALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL334597 0.74 TDP1 (0.44) LARS1NPC1RAB9AALDH1A1SMN1; SMN2

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-1192746-A Peptide derivatives and angiotensin IV receptor agonists SAGAMI CHEM RES (JP) 1998-09-09 CN disclosed