SCHEMBL7959519

SCHEMBL7959519

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A1 P43005 2/20 0.64
PPARG P37231 4/20 0.52
PPARA Q07869 3/20 0.52
DPP4 P27487 2/20 0.44
DPP7 Q9UHL4 2/20 0.44
ROCK1 Q13464 1/20 0.44
MDM2 Q00987 1/20 0.43
GRIA2 P42262 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
ALPI P09923 1/20 0.42
PKM P14618 1/20 0.42
PTGS1 P23219 1/20 0.42
XIAP P98170 1/20 0.42
SLC7A5 Q01650 1/20 0.42
DPP8 Q6V1X1 1/20 0.42
DPP9 Q86TI2 1/20 0.42
ANPEP P15144 1/20 0.42
LAP3 P28838 1/20 0.42
RNPEP Q9H4A4 1/20 0.42
DNPEP Q9ULA0 1/20 0.42

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
SCHEMBL22885989 0.88 SLC1A1 (0.56) SLC1A1PPARGPPARADPP4DPP7
SCHEMBL7961908 0.86 SLC1A1 (0.55) SLC1A1PPARGPPARADPP4DPP7
SCHEMBL8544723 0.83 LTA4H (0.63) SLC1A1PPARGPPARALAP3
M-Fluorophenylalanine SCHEMBL42948 0.82 SLC1A1 (0.69) SLC1A1GRIA2ALPIPKMPTGS1
M-Fluorophenylalanine SCHEMBL288728 0.82 SLC1A1 (0.69) SLC1A1GRIA2ALPIPKMPTGS1
M-Fluorophenylalanine SCHEMBL42949 0.82 SLC1A1 (0.69) SLC1A1GRIA2ALPIPKMPTGS1
M-Fluorophenylalanine SCHEMBL29580111 0.82 SLC1A1 (0.69) SLC1A1GRIA2ALPIPKMPTGS1
M-Fluorophenylalanine SCHEMBL29424682 0.82 SLC1A1 (0.69) SLC1A1GRIA2ALPIPKMPTGS1
SCHEMBL3841332 0.81 ALPI (0.62) SLC1A1ALPIPKMPTGS1XIAP
SCHEMBL7415433 0.81 ALPI (0.62) SLC1A1ALPIPKMPTGS1XIAP

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1169791-C Novel acetamide derivatives and protease inhibitors �ձ���ҩ��ʽ���� 2004-10-06 CN disclosed
US-6271238-B1 USEFUL IN TREATING AND PREVENTING DISEASES INVOLVING CHYMOTRYPSIN TYPE PROTEASES WHICH ARE RELATED TO ASTHMA, ALLERGY, INFLAMMATIONS, RHEUMATISM, HYPERTENSION, HEART FAILURE, MYOCARDIAL INFARCTION, AND CARDIAC HYPERTROPHY NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2001-08-07 US disclosed
CN-1229405-A Novel acetamide derivatives and protease inhibitors NIPPON KAYAKU KK (JP) 1999-09-22 CN disclosed
EP-0936216-A1 NOVEL ACETAMIDE DERIVATIVES AND PROTEASE INHIBITORS NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1999-08-18 EP disclosed