SCHEMBL8628000

SCHEMBL8628000

CC(C)C(CC(N)=O)C(=O)C(F)(F)C(=O)NCc1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.49
MAPK1 P28482 1/20 0.44
TSHR P16473 1/20 0.44
GAA P10253 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 2/20 0.40
ANPEP P15144 1/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL8762413 0.87 MAPK1 (0.45) MAPK1GAALMNAPOLBALDH1A1
SCHEMBL8624813 0.76 SMN1; SMN2 (0.48) KMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL8762379 0.75 SMN1; SMN2 (0.41) MAPK1KMT2ALMNAPOLBSMN1; SMN2
SCHEMBL8625002 0.75 ECE1 (0.43) KMT2AMEN1POLBSMN1; SMN2ALDH1A1
SCHEMBL8761340 0.75 ECE1 (0.47) LMNAALDH1A1
SCHEMBL8762388 0.73 ECE1 (0.62)
SCHEMBL8762494 0.71 L3MBTL1 (0.50) MAPK1KMT2AMEN1LMNASMN1; SMN2
SCHEMBL3231132 0.71 HPGD (0.56) HPGDMAPK1TSHRGAAKMT2A
SCHEMBL1709292 0.69 HPGD (0.65) HPGDKMT2ALMNAPOLBSMN1; SMN2
SCHEMBL16963757 0.69 HPGD (0.53) HPGDTSHRGAAKMT2ALMNA

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-0636142-B1 LACTAM PEPTIDES HAVING HLE INHIBITING ACTIVITY ZENECA LTD (GB) 1998-06-17 EP disclosed