SCHEMBL7961571

SCHEMBL7961571

COC(=O)C(O)C(N)Cc1ccc(OC)cc1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.69
LDHA P00338 1/20 0.54
LAP3 P28838 1/20 0.53
SLC6A4 P31645 1/20 0.53
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
POLB P06746 1/20 0.48
HTT P42858 1/20 0.46
F2RL1 P55085 1/20 0.45
ACACB O00763 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
SCHEMBL7960649 0.86 LTA4H (0.67) LTA4HLAP3
SCHEMBL7871920 0.86 LDHA (0.65) LTA4HLDHALAP3SLC6A4CYP1A2
SCHEMBL7415465 0.86 LTA4H (0.67) LTA4HLAP3
SCHEMBL20027598 0.86 LDHA (0.56) LTA4HLDHALAP3SLC6A4CYP1A2
SCHEMBL7426450 0.86 LDHA (0.65) LTA4HLDHALAP3SLC6A4CYP1A2
SCHEMBL741542 0.84 LTA4H (0.61) LTA4HLAP3POLBACACB
SCHEMBL762691 0.84 LTA4H (0.61) LTA4HLAP3POLBACACB
SCHEMBL741541 0.84 LTA4H (0.61) LTA4HLAP3POLBACACB
SCHEMBL2606756 0.84 LTA4H (0.77) LTA4HLAP3CYP2C19
SCHEMBL6339522 0.84 LTA4H (0.77) LTA4HLAP3CYP2C19

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