SCHEMBL7960757

SCHEMBL7960757

CC(C)(C)OC(=O)Nc1ncc(-c2ccccc2)n(CC(=O)O)c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.43
KDM4E B2RXH2 4/20 0.40
F2 P00734 3/20 0.40
F7 P08709 3/20 0.40
F3 P13726 3/20 0.40
HPGD P15428 3/20 0.40
BRD9 Q9H8M2 1/20 0.39
ALDH1A1 P00352 4/20 0.38
HSD17B10 Q99714 2/20 0.38
CKS1B P61024 3/20 0.38
SKP1 P63208 3/20 0.38
SKP2 Q13309 3/20 0.38
MAPK1 P28482 1/20 0.38
ELANE P08246 1/20 0.37
MEN1 O00255 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
RCE1 Q9Y256 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL7964912 0.86 CNR2 (0.41) CNR2KDM4EHPGDBRD9ALDH1A1
SCHEMBL7959556 0.84 CNR2 (0.40) CNR2KDM4EBRD9ALDH1A1CKS1B
SCHEMBL7965589 0.83 BRD9 (0.43) CNR2KDM4EHPGDBRD9ALDH1A1
SCHEMBL6792414 0.82 F7 (0.41) CNR2F7BRD9SCD
SCHEMBL7967814 0.80 CNR2 (0.41) CNR2BRD9CKS1BSKP1SKP2
SCHEMBL7953847 0.80 ELANE (0.53) CNR2BRD9ELANE
SCHEMBL23460639 0.78 F7 (0.48) KDM4EF2F7F3HPGD
SCHEMBL23460588 0.77 F2 (0.54) F2F7F3
SCHEMBL23460572 0.76 F2 (0.57) KDM4EF2F7F3ALDH1A1
SCHEMBL6791082 0.76 F2 (0.40) F2F7F3SCD

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