SCHEMBL7964844

SCHEMBL7964844

COC(=O)[C@H](O)C(N)Cc1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.77
LAP3 P28838 5/20 0.59
ANPEP P15144 5/20 0.57
RNPEP Q9H4A4 1/20 0.57
DNPEP Q9ULA0 1/20 0.57
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
SLC15A1 P46059 1/20 0.50
ATM Q13315 1/20 0.49
ALPI P09923 1/20 0.49
PKM P14618 1/20 0.49
PTGS1 P23219 1/20 0.49
XIAP P98170 1/20 0.49
SLC7A5 Q01650 1/20 0.49
ALDH1A1 P00352 1/20 0.48
THRB P10828 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL28578878 1.00 LTA4H (0.77) LTA4HLAP3ANPEPRNPEPDNPEP
SCHEMBL2106383 1.00 LTA4H (0.77) LTA4HLAP3ANPEPRNPEPDNPEP
SCHEMBL8174333 1.00 LTA4H (0.77) LTA4HLAP3ANPEPRNPEPDNPEP
SCHEMBL6339522 1.00 LTA4H (0.77) LTA4HLAP3ANPEPRNPEPDNPEP
SCHEMBL2606756 1.00 LTA4H (0.77) LTA4HLAP3ANPEPRNPEPDNPEP
SCHEMBL2106650 1.00 LTA4H (0.77) LTA4HLAP3ANPEPRNPEPDNPEP
SCHEMBL7964846 1.00 LTA4H (0.77) LTA4HLAP3ANPEPRNPEPDNPEP
Hydrochloric Acid SCHEMBL21526210 0.98 LTA4H (0.75) LTA4HLAP3ANPEPRNPEPDNPEP
Hydrochloric Acid SCHEMBL21526211 0.98 LTA4H (0.75) LTA4HLAP3ANPEPRNPEPDNPEP
Hydrochloric Acid SCHEMBL10628401 0.98 LTA4H (0.75) LTA4HLAP3ANPEPRNPEPDNPEP

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-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
EP-0936216-A1 NOVEL ACETAMIDE DERIVATIVES AND PROTEASE INHIBITORS NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1999-08-18 EP disclosed