SCHEMBL10411481

SCHEMBL10411481

NC(Cc1ccccc1)C(=O)C1NCCS1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
SLC15A1 P46059 1/20 0.43
HDAC8 Q9BY41 3/20 0.43
LTA4H P09960 1/20 0.41
DPP4 P27487 5/20 0.40
SLC1A3 P43003 2/20 0.40
SLC1A2 P43004 2/20 0.40
SLC1A1 P43005 2/20 0.40
FAAH O00519 1/20 0.39
DPP8 Q6V1X1 2/20 0.39
DPP9 Q86TI2 2/20 0.39
DPP7 Q9UHL4 2/20 0.39
FAP Q12884 1/20 0.39
CTSC P53634 1/20 0.38
CYP1A2 P05177 1/20 0.38
TACR1 P25103 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 1.00 ALPI (0.49) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL11070792 0.83 CTSC (0.45) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL7975017 0.82 SLC6A2 (0.37) HDAC8DPP4DPP8DPP9FAP
SCHEMBL9709042 0.72 CYP1A2 (0.46) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL1509586 0.71 KMT2A (0.42) DPP4DPP8DPP9
SCHEMBL17804129 0.70 SLC7A5 (0.58) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL6753730 0.70 GSR (0.43) DPP4DPP8DPP9DPP7FAP
Phenylalanine SCHEMBL3117414 0.69 SLC7A5 (0.96) ALPIPKMPTGS1XIAPSLC7A5
Dl-Phenylalanine SCHEMBL11103233 0.69 SLC7A5 (0.96) ALPIPKMPTGS1XIAPSLC7A5
Dl-Phenylalanine SCHEMBL3117407 0.69 SLC7A5 (0.96) ALPIPKMPTGS1XIAPSLC7A5

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-4978744-A Synthesis of dolastatin 10 ARIZONA BOARD OF REGENTS (US) 1990-12-18 US disclosed