SCHEMBL8624813

SCHEMBL8624813

COc1ccc(CCNC(=O)C(F)(F)C(=O)C(CC(N)=O)C(C)C)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.48
KMT2A Q03164 2/20 0.44
GLA P06280 1/20 0.44
FPR2 P25090 2/20 0.43
ALDH1A1 P00352 2/20 0.43
TAAR1 Q96RJ0 1/20 0.43
MEN1 O00255 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
PLAAT3 P53816 1/20 0.41
PLAAT5 Q96KN8 1/20 0.41
PLAAT2 Q9NWW9 1/20 0.41
PLAAT4 Q9UL19 1/20 0.41

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
SCHEMBL8627934 0.86 OPRK1 (0.44) KMT2AALDH1A1MEN1
SCHEMBL8762379 0.84 SMN1; SMN2 (0.41) SMN1; SMN2KMT2AALDH1A1CA1CA2
SCHEMBL8624798 0.80 SMN1; SMN2 (0.47) SMN1; SMN2KMT2AGLAFPR2ALDH1A1
SCHEMBL8628000 0.76 HPGD (0.49) SMN1; SMN2KMT2AALDH1A1MEN1
SCHEMBL8625002 0.76 ECE1 (0.43) SMN1; SMN2KMT2AALDH1A1MEN1
SCHEMBL140038 0.76 SMN1; SMN2 (0.67) SMN1; SMN2KMT2AGLAFPR2ALDH1A1
SCHEMBL8762388 0.74 ECE1 (0.62)
SCHEMBL10266158 0.72 SMN1; SMN2 (0.61) SMN1; SMN2KMT2AGLAFPR2ALDH1A1
SCHEMBL2746054 0.72 SMN1; SMN2 (0.65) SMN1; SMN2KMT2AGLAFPR2ALDH1A1
SCHEMBL7924560 0.71 SMN1; SMN2 (0.73) SMN1; SMN2KMT2AGLAFPR2ALDH1A1

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