SCHEMBL8815399

SCHEMBL8815399

NC(Cc1ccc(F)cc1)C(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.53
ALPI P09923 1/20 0.53
PKM P14618 1/20 0.53
PTGS1 P23219 1/20 0.53
XIAP P98170 1/20 0.53
SLC15A1 P46059 2/20 0.52
LTA4H P09960 1/20 0.52
LAP3 P28838 1/20 0.52
PPARG P37231 2/20 0.51
PPARA Q07869 2/20 0.51
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
FABP7 O15540 1/20 0.47
FABP5 Q01469 1/20 0.47
MC4R P32245 1/20 0.46
MC3R P41968 1/20 0.46
GPR34 Q9UPC5 1/20 0.46
TYR P14679 1/20 0.45
SLC1A5 Q15758 1/20 0.45

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
SCHEMBL8012494 1.00 SLC7A5 (0.53) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL5215354 1.00 SLC7A5 (0.53) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL8030314 0.96 MGLL (0.50) SLC7A5ALPIPKMPTGS1XIAP
Hydrochloric Acid SCHEMBL8030310 0.94 MGLL (0.49) SLC7A5ALPIPKMPTGS1XIAP
Hydrochloric Acid SCHEMBL27348912 0.94 MGLL (0.49) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL73708 0.91 SLC7A5 (0.63) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL3099705 0.91 SLC7A5 (0.63) SLC7A5ALPIPKMPTGS1XIAP
SCHEMBL73707 0.91 SLC7A5 (0.63) SLC7A5ALPIPKMPTGS1XIAP
Hydrochloric Acid SCHEMBL353729 0.89 SLC7A5 (0.61) SLC7A5ALPIPKMPTGS1XIAP
Hydrochloric Acid SCHEMBL1168587 0.89 SLC7A5 (0.61) SLC7A5ALPIPKMPTGS1XIAP

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
WO-1997019908-A1 PHENYLALANINE DERIVATIVES, OPTICALLY ACTIVE SUBSTANCES, SALTS OR COORDINATION COMPOUNDS THEREOF, AND THEIR USE AS FUNGICIDES NIHON NOHYAKU CO., LTD. (JP) 1997-06-05 WO disclosed