SCHEMBL7964889

SCHEMBL7964889

CC(=O)Nc1cnc(-c2ccccc2)n(CC(O)CO)c1=O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ELANE P08246 13/20 0.48
CASP1 P29466 1/20 0.39
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
MAPK14 Q16539 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MMP9 P14780 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
METAP2 P50579 1/20 0.38

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
SCHEMBL5728202 0.82 ELANE (0.54) ELANECASP1KDM4E
SCHEMBL7963037 0.80 ELANE (0.48) ELANECASP1PSEN1PSEN2APH1B
SCHEMBL7959205 0.79 ALDH1A1 (0.49) ELANEKDM4EALDH1A1METAP2
SCHEMBL7965891 0.77 KCNA5 (0.41) ELANEKDM4EALDH1A1MMP9MAOA
SCHEMBL5728626 0.75 ELANE (0.71) ELANE
SCHEMBL5728623 0.75 ELANE (0.71) ELANE
SCHEMBL6110027 0.75 ELANE (0.57) ELANE
SCHEMBL6110034 0.75 ELANE (0.57) ELANE
SCHEMBL14548655 0.74 P2RX3 (0.45) ELANE
SCHEMBL5728516 0.73 ELANE (0.46) ELANECASP1

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