SCHEMBL11235523

SCHEMBL11235523

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

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.61
RAB9A P51151 3/20 0.61
LMNA P02545 1/20 0.54
LTA4H P09960 3/20 0.54
TAAR1 Q96RJ0 1/20 0.52
CTRB1 P17538 3/20 0.50
CTSC P53634 2/20 0.50
SLC15A1 P46059 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ALPI P09923 1/20 0.49
PKM P14618 1/20 0.49
PTGS1 P23219 1/20 0.49
XIAP P98170 1/20 0.49
SLC7A5 Q01650 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
SCHEMBL27183297 1.00 NPC1 (0.61) NPC1RAB9ALMNALTA4HTAAR1
SCHEMBL30573673 0.89 NPC1 (0.67) NPC1RAB9ALMNALTA4HTAAR1
SCHEMBL10135745 0.89 NPC1 (0.67) NPC1RAB9ALMNALTA4HTAAR1
SCHEMBL970530 0.89 NPC1 (0.67) NPC1RAB9ALMNALTA4HTAAR1
SCHEMBL27183419 0.88 SLC7A5 (0.51) NPC1RAB9ATAAR1SLC7A5
SCHEMBL27183078 0.87 MME (0.46) NPC1RAB9ALMNALTA4HKMT2A
SCHEMBL24931056 0.86 NPC1 (0.63) NPC1RAB9ALMNATAAR1CTRB1
SCHEMBL974013 0.86 NPC1 (0.63) NPC1RAB9ALMNATAAR1CTRB1
SCHEMBL10195699 0.86 NPC1 (0.63) NPC1RAB9ALMNATAAR1CTRB1
SCHEMBL11707520 0.85 SMN1; SMN2 (0.58) NPC1RAB9ACTSCMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4338346-A Non-nutritive sweetener THE PROCTER & GAMBLE COMPANY (US) 1982-07-06 US disclosed
EP-0013044-A1 L-aspartyl amide derivatives and their use as sweetening agents THE PROCTER & GAMBLE COMPANY (US) 1980-07-09 EP disclosed