SCHEMBL7956686

SCHEMBL7956686

CC(C)[C@@H](CC(N)=O)C(=O)c1nnc(C(C)(C)c2ccccc2)o1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ELANE P08246 15/20 0.48
APLNR P35414 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
TNKS O95271 1/20 0.32
PARP1 P09874 1/20 0.32
PARP2 Q9UGN5 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31

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
SCHEMBL7074829 0.82 ELANE (0.49) ELANEAPLNRMAPTKMT2ACYP1A2
Hydrochloric Acid SCHEMBL7075284 0.81 ELANE (0.48) ELANEAPLNRMAPTKMT2ACYP1A2
SCHEMBL27158525 0.75 PTPN1 (0.46) ELANEAPLNRMAPTKMT2ATNKS
SCHEMBL7071124 0.74 ELANE (0.54) ELANEMAPT
SCHEMBL19805539 0.70 CA1 (0.43) ELANEAPLNRMAPTKMT2ACYP1A2
SCHEMBL7199762 0.67 ELANE (0.71) ELANE
Hydrochloric Acid SCHEMBL7117389 0.64 ELANE (0.35) ELANEAPLNRCYP1A2CYP2D6
SCHEMBL16997506 0.64 ALDH1A1 (0.41) ELANEAPLNRKMT2ATNKSPARP1
SCHEMBL15599598 0.63 ALDH1A1 (0.39) ELANEAPLNRTNKSPARP1PARP2
SCHEMBL14803532 0.61 ECE1 (0.53)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6255453-B1 INHIBITORS OF HUMAN NEUTOPHIL ELASTASE; TREATMENT OF ADULT RESPIRATORY DISTRESS SYNDROME, SEPTIC SHOCK, MULTIPLE ORGAN FAILURE, PERIODONTAL DISEASE, GLOMERULONEPHRITIS, CYSTIC FIBROSIS; ANTIARTHRTITIC AGENTS CORTECH, INC. 2001-07-03 US disclosed