SCHEMBL7300414

SCHEMBL7300414

CC(=O)NC(C(=O)C(CF)(CF)CF)C(C)C

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.33
ALDH1A1 P00352 1/20 0.33
ADAM17 P78536 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
DPP4 P27487 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
ALOX15 P16050 1/20 0.31
NFKB1 P19838 1/20 0.31
PTGS2 P35354 1/20 0.31
THPO P40225 1/20 0.31
RECQL P46063 1/20 0.31
BLM P54132 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAPK1 P28482 1/20 0.30

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
SCHEMBL7292999 0.78 ELANE (0.44) ELANEDPP4DPP8DPP9
Hydrochloric Acid SCHEMBL7303909 0.76 ELANE (0.43) ELANEDPP4DPP8DPP9
SCHEMBL8746308 0.76 ELANE (0.43) ELANEDPP4DPP8DPP9
SCHEMBL24850751 0.75 ADAM17 (0.36) ELANEALDH1A1ADAM17MEN1KMT2A
SCHEMBL24909282 0.74 ADAM17 (0.36) ELANEALDH1A1ADAM17MEN1KMT2A
Trifluoroacetic Acid SCHEMBL7313936 0.73 ELANE (0.41) ELANE
SCHEMBL8130071 0.69 DPP4 (0.43) ALDH1A1ADAM17MEN1KMT2ADPP4
SCHEMBL15368410 0.69 DPP4 (0.43) ALDH1A1ADAM17MEN1KMT2ADPP4
SCHEMBL13018857 0.69 DPP4 (0.43) ALDH1A1ADAM17MEN1KMT2ADPP4
SCHEMBL7300423 0.69 ALDH1A1 (0.33) ELANEALDH1A1ADAM17MEN1KMT2A

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
EP-0509769-B1 Heterocyclic amides having HLE inhibiting activity ZENECA LTD (GB) 1996-09-11 EP disclosed