SCHEMBL5803448

SCHEMBL5803448

NC(Cc1cccc(C(F)C(F)F)c1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 9/20 0.57
PTGS1 P23219 2/20 0.57
ALPI P09923 1/20 0.57
PKM P14618 1/20 0.57
XIAP P98170 1/20 0.57
GRIA2 P42262 1/20 0.55
NOS3 P29474 3/20 0.54
NOS1 P29475 3/20 0.54
NOS2 P35228 3/20 0.54
HSD17B10 Q99714 2/20 0.50
KDM4E B2RXH2 1/20 0.50
USP2 O75604 1/20 0.50
EGFR P00533 1/20 0.50
LCK P06239 1/20 0.50
FYN P06241 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
ALOX15 P16050 1/20 0.50
HTR2A P28223 1/20 0.50
PTGS2 P35354 1/20 0.50
RECQL P46063 1/20 0.50

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
SCHEMBL5566682 0.85 SLC7A5 (0.57) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL2314258 0.82 SLC7A5 (0.77) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL16291101 0.81 SLC7A5 (0.61) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL22444601 0.81 SLC7A5 (0.61) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL6746248 0.80 SLC7A5 (0.59) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL2540721 0.79 SLC7A5 (0.57) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL7258408 0.79 SLC7A5 (0.57) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL18280237 0.79 SLC7A5 (0.57) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL16861142 0.79 SLC7A5 (0.57) SLC7A5PTGS1ALPIPKMXIAP
Hydrochloric Acid SCHEMBL7257490 0.78 NOS3 (0.56) SLC7A5PTGS1ALPIPKMXIAP

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
WO-2006056604-A1 LEVODOPA GLYCOSYL DERIVATIVES, METHODS OF PREPARATION AND USE EVOLVA AG (CH) 2006-06-01 WO disclosed
US-6495358-B1 OPEN SULFAMIDE STRUCTURE IS ANTICIPATED TO BE MORE STABLE CHEMICALLY THAN RELATED CLOSED RING STRUCTURES; SERINE AND CYSTEINE PROTEASES WICHITA STATE UNIVERSITY 2002-12-17 US disclosed
US-6420401-B1 SERINE PROTEASE INHIBITOR WICHITA STATE UNIVERSITY 2002-07-16 US disclosed