SCHEMBL11596134

SCHEMBL11596134

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

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSC P53634 6/20 0.66
SLC15A1 P46059 1/20 0.51
ALPI P09923 1/20 0.50
PKM P14618 1/20 0.50
PTGS1 P23219 1/20 0.50
XIAP P98170 1/20 0.50
SLC7A5 Q01650 1/20 0.50
LTA4H P09960 3/20 0.49
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CTSH P09668 1/20 0.47
CYP2D6 P10635 1/20 0.47
CTSK P43235 1/20 0.47
CPA1 P15085 2/20 0.44
CPB1 P15086 1/20 0.44
CPA3 P15088 1/20 0.44
CPB2 Q96IY4 1/20 0.44
MME P08473 1/20 0.43

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
SCHEMBL10795761 0.90 CTSC (0.64) CTSCSLC15A1ALPIPKMPTGS1
SCHEMBL9144573 0.90 CTSC (0.76) CTSCSLC15A1ALPIPKMPTGS1
SCHEMBL9389290 0.90 CTSC (0.76) CTSCSLC15A1ALPIPKMPTGS1
SCHEMBL583121 0.90 CTSC (0.76) CTSCSLC15A1ALPIPKMPTGS1
SCHEMBL1691349 0.90 CTSC (0.76) CTSCSLC15A1ALPIPKMPTGS1
SCHEMBL583122 0.90 CTSC (0.76) CTSCSLC15A1ALPIPKMPTGS1
SCHEMBL28454784 0.89 CTSC (0.62) CTSCSLC15A1ALPIPKMPTGS1
SCHEMBL3037175 0.89 CTSC (0.62) CTSCSLC15A1ALPIPKMPTGS1
SCHEMBL3497497 0.89 CTSC (0.62) CTSCSLC15A1ALPIPKMPTGS1
SCHEMBL4588611 0.88 CTSC (0.74) CTSCSLC15A1ALPIPKMPTGS1

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-4082736-A NOVEL IMMUNOLOGICAL ADJUVANT COMPOUNDS AND METHODS OF PREPARATION THEREOF SYNTEX (U.S.A.) INC. (US) 1978-04-04 US disclosed