SCHEMBL8625002

SCHEMBL8625002

CCCNC(=O)C(F)(F)C(=O)C(CC(N)=O)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 3/20 0.43
EPHX1 P07099 1/20 0.35
HTRA1 Q92743 3/20 0.34
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL8762388 0.86 ECE1 (0.62) ECE1
SCHEMBL8761340 0.82 ECE1 (0.47) ECE1HTRA1ALDH1A1
SCHEMBL8763057 0.78 LMNA (0.43) HTRA1
SCHEMBL8762379 0.78 SMN1; SMN2 (0.41) ECE1HTRA1ALDH1A1POLBSMN1; SMN2
SCHEMBL8624813 0.76 SMN1; SMN2 (0.48) ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8762494 0.76 L3MBTL1 (0.50) ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8628000 0.75 HPGD (0.49) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL8762413 0.74 MAPK1 (0.45) ALDH1A1POLB
SCHEMBL8627352 0.72 EPHX1 (0.34) ECE1EPHX1
SCHEMBL7432362 0.68 EPHX1 (0.38) EPHX1ALDH1A1POLBSMN1; SMN2MEN1

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 4 patents. 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 claimed
EP-0636141-B1 PYRIMIDINYL ACETAMIDES AS ELASTASE INHIBITORS ZENECA LTD (GB) 1997-06-25 EP claimed
EP-0636142-B1 LACTAM PEPTIDES HAVING HLE INHIBITING ACTIVITY ZENECA LTD (GB) 1998-06-17 EP disclosed
EP-0636141-B1 PYRIMIDINYL ACETAMIDES AS ELASTASE INHIBITORS ZENECA LTD (GB) 1997-06-25 EP disclosed