SCHEMBL7337728

SCHEMBL7337728

C[C@@H]1CCN(C(=O)OCc2ccccc2)C(C(=O)O)C1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
PREP P48147 3/20 0.52
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL7345803 1.00 NPC1 (0.53) NPC1RAB9ASMN1; SMN2PREPNPSR1
SCHEMBL2760309 1.00 NPC1 (0.53) NPC1RAB9ASMN1; SMN2PREPNPSR1
SCHEMBL7345795 1.00 NPC1 (0.53) NPC1RAB9ASMN1; SMN2PREPNPSR1
SCHEMBL2760307 0.89 PREP (0.52) NPC1RAB9ASMN1; SMN2PREPNPSR1
SCHEMBL13507486 0.88 SMN1; SMN2 (0.54) NPC1RAB9ASMN1; SMN2PREPNPSR1
SCHEMBL6121679 0.87 POLB (0.53) NPC1RAB9ASMN1; SMN2PREP
SCHEMBL29302474 0.87 POLB (0.53) NPC1RAB9ASMN1; SMN2PREP
SCHEMBL26777858 0.87 POLB (0.53) NPC1RAB9ASMN1; SMN2PREP
SCHEMBL6121682 0.87 POLB (0.53) NPC1RAB9ASMN1; SMN2PREP
SCHEMBL4668774 0.86 SMN1; SMN2 (0.61) NPC1RAB9ASMN1; SMN2PREPNPSR1

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
US-5371091-A Anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 1994-12-06 US disclosed