SCHEMBL7376265

SCHEMBL7376265

CCCCc1ccc(N[C@@H](C)C(=O)OCC)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HPGD P15428 3/20 0.52
ALDH1A1 P00352 2/20 0.52
POLB P06746 1/20 0.49
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
PLK1 P53350 1/20 0.45
HSD17B10 Q99714 1/20 0.45
SPHK1 Q9NYA1 4/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
RORA P35398 1/20 0.44
NR5A1 Q13285 1/20 0.44

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
SCHEMBL7376263 1.00 NPC1 (0.54) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL6557216 0.84 FFAR1 (0.50) ALDH1A1
SCHEMBL27396740 0.84 FFAR1 (0.50) ALDH1A1
SCHEMBL27999258 0.83 GAA (0.58) NPC1RAB9ASMN1; SMN2HPGDALDH1A1
SCHEMBL5954163 0.79 ELANE (0.47) SMN1; SMN2ALDH1A1CA12CA1CA2
SCHEMBL5954162 0.79 ELANE (0.47) SMN1; SMN2ALDH1A1CA12CA1CA2
SCHEMBL7373973 0.78 MAPT (0.55) SMN1; SMN2HPGDALDH1A1POLBGAA
SCHEMBL6555717 0.78 CA12 (0.54) SMN1; SMN2ALDH1A1GAAMAPTCA12
SCHEMBL6555720 0.78 CA12 (0.54) SMN1; SMN2ALDH1A1GAAMAPTCA12
SCHEMBL16197782 0.78 GAA (0.49) RAB9ASMN1; SMN2HPGDALDH1A1GAA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6399628-B1 ALZHEIMER'S DISEASE ATHENA NEUROSCIENCES, INC. 2002-06-04 US claimed
US-6399628-B1 ALZHEIMER'S DISEASE ATHENA NEUROSCIENCES, INC. 2002-06-04 US disclosed
US-5965614-A A PEPTIDE BLOCKING AGENT FOR TREATING ALZHEIMER'S DISEASE ATHENA NEUROSCIENCES, INC. 1999-10-12 US disclosed
EP-0944580-A2 N-(ARYL/HETEROARYL) AMINO ACID ESTERS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR INHIBITING BETA-AMYLOID PEPTIDE RELEASE AND/OR ITS SYNTHESIS Elan Pharmaceuticals, Inc. (US) 1999-09-29 EP disclosed
WO-1998022441-A2 N-(ARYL/HETEROARYL) AMINO ACID ESTERS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR INHIBITING BETA-AMYLOID PEPTIDE AND/OR ITS SYNTHESIS ELAN PHARMACEUTICALS, INC. (US) 1998-05-28 WO disclosed