SCHEMBL6359326

SCHEMBL6359326

CCC1SC=CN(N(C(C)=O)[C@@H](Cc2ccccc2)C(O)C(=O)O)C1=O

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.32
ALPI P09923 1/20 0.32
PTGS1 P23219 1/20 0.32
XIAP P98170 1/20 0.32
SLC7A5 Q01650 1/20 0.32
OPRD1 P41143 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
PTPN7 P35236 1/20 0.30
RECQL P46063 1/20 0.30
BLM P54132 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
TRPA1 O75762 1/20 0.30

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
SCHEMBL6358307 0.92 HDAC3 (0.30) PKMALPIPTGS1XIAPSLC7A5
SCHEMBL6348255 0.88 PKM (0.33) PKMALPIPTGS1XIAPSLC7A5
SCHEMBL6352187 0.86 PKM (0.32) PKMALPIPTGS1XIAPSLC7A5
SCHEMBL6348193 0.86 ABCB1 (0.32) PKMALPIPTGS1XIAPSLC7A5
SCHEMBL6356437 0.82 MME (0.31) MEN1MAPTKMT2AACEALDH1A1
SCHEMBL6351079 0.75 MME (0.30) ACE
SCHEMBL6359323 0.73 SMN1; SMN2 (0.37) POLBALDH1A1
SCHEMBL6354398 0.73 KDM4E (0.31) KDM4EMEN1POLBMAPTCYP2C9
SCHEMBL6347738 0.69 ALDH1A1 (0.32) PKMALPIPTGS1XIAPSLC7A5
SCHEMBL6348395 0.69 ELANE (0.31) TDP1

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