SCHEMBL6348255

SCHEMBL6348255

CC(=O)N([C@@H](Cc1ccccc1)C(O)C(=O)O)N1C=CSC(C)C1=O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.33
ALPI P09923 1/20 0.33
PTGS1 P23219 1/20 0.33
XIAP P98170 1/20 0.33
SLC7A5 Q01650 1/20 0.33
POLB P06746 2/20 0.32
HSD17B10 Q99714 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
PTPN7 P35236 1/20 0.32
RECQL P46063 1/20 0.32
BLM P54132 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP1A2 P05177 1/20 0.31
PPARG P37231 1/20 0.31

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
SCHEMBL6348193 0.88 ABCB1 (0.32) PKMALPIPTGS1XIAPSLC7A5
SCHEMBL6359326 0.88 PKM (0.32) PKMALPIPTGS1XIAPSLC7A5
SCHEMBL6352187 0.88 PKM (0.32) PKMALPIPTGS1XIAPSLC7A5
SCHEMBL6358307 0.86 HDAC3 (0.30) PKMALPIPTGS1XIAPSLC7A5
SCHEMBL6347738 0.82 ALDH1A1 (0.32) PKMALPIPTGS1XIAPSLC7A5
SCHEMBL6348251 0.72 PYGL (0.37) POLBKMT2AL3MBTL1ALDH1A1
SCHEMBL6354398 0.71 KDM4E (0.31) POLBHSD17B10KMT2AKDM4EMEN1
SCHEMBL6348395 0.71 ELANE (0.31) TDP1
SCHEMBL6356437 0.69 MME (0.31) KMT2AMEN1MAPTALDH1A1
SCHEMBL6346936 0.69 HPGD (0.33) KMT2AMEN1MAPTALDH1A1

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-6960575-B2 For use as inhibitors of chymase SANTEN PHARMACEUTICAL CO., LTD. (JP) 2005-11-01 US disclosed
US-6713472-B1 2-OXO-1,2,3,4-TETRAHYDROPYRAZINE DERIVATIVES; CHYMASE INHIBITORS SANTEN PHARMACEUTICAL CO., LTD. (JP) 2004-03-30 US disclosed