SCHEMBL11070792

SCHEMBL11070792

N[C@@H](Cc1ccccc1)C(=O)NC(=O)C1NCCS1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSC P53634 3/20 0.45
ALPI P09923 1/20 0.43
PKM P14618 1/20 0.43
PTGS1 P23219 1/20 0.43
XIAP P98170 1/20 0.43
SLC7A5 Q01650 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
SLC15A1 P46059 1/20 0.42
NAMPT P43490 1/20 0.40
LTA4H P09960 1/20 0.40
HDAC8 Q9BY41 1/20 0.39
GPR142 Q7Z601 1/20 0.38

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
SCHEMBL10411479 0.83 ALPI (0.49) CTSCALPIPKMPTGS1XIAP
SCHEMBL10411481 0.83 ALPI (0.49) CTSCALPIPKMPTGS1XIAP
SCHEMBL27491558 0.76 ALPI (0.46) CTSCALPIPKMPTGS1XIAP
SCHEMBL17844273 0.75 ALPI (0.68) CTSCALPIPKMPTGS1XIAP
Hydrochloric Acid SCHEMBL204285 0.73 NPC1 (0.46)
SCHEMBL19584943 0.72 ALPI (0.63) CTSCALPIPKMPTGS1XIAP
SCHEMBL8413750 0.71 ALPI (0.50) CTSCALPIPKMPTGS1XIAP
SCHEMBL8416117 0.71 ALPI (0.50) CTSCALPIPKMPTGS1XIAP
SCHEMBL9285110 0.71 ALPI (0.61) CTSCALPIPKMPTGS1XIAP
SCHEMBL9285116 0.71 ALPI (0.61) CTSCALPIPKMPTGS1XIAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0024664-B1 PEPTIDE AMIDES AND PROCESS FOR THEIR PREPARATION HOECHST AKTIENGESELLSCHAFT (DE) 1983-02-16 EP claimed
US-4459225-A ANALGESICS HOECHST AKTIENGESELLSCHAFT (DE) 1984-07-10 US disclosed
US-4459225-A ANALGESICS HOECHST AKTIENGESELLSCHAFT (DE) 1984-07-10 US disclosed