SCHEMBL8624798

SCHEMBL8624798

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

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.47
KMT2A Q03164 2/20 0.44
GLA P06280 1/20 0.44
FPR2 P25090 2/20 0.42
ALDH1A1 P00352 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
PLAAT3 P53816 1/20 0.42
PLAAT5 Q96KN8 1/20 0.42
PLAAT2 Q9NWW9 1/20 0.42
PLAAT4 Q9UL19 1/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL8625810 0.87 POLB (0.44) KMT2AALDH1A1MEN1
SCHEMBL8761334 0.85 SMN1; SMN2 (0.40) SMN1; SMN2KMT2AALDH1A1
SCHEMBL8624813 0.80 SMN1; SMN2 (0.48) SMN1; SMN2KMT2AGLAFPR2ALDH1A1
SCHEMBL8762407 0.77 L3MBTL1 (0.49) SMN1; SMN2KMT2AALDH1A1MEN1
SCHEMBL8627352 0.76 EPHX1 (0.34)
SCHEMBL140038 0.75 SMN1; SMN2 (0.67) SMN1; SMN2KMT2AGLAFPR2ALDH1A1
SCHEMBL8762402 0.73 MAPK1 (0.44) ALDH1A1
SCHEMBL10266158 0.71 SMN1; SMN2 (0.61) SMN1; SMN2KMT2AGLAFPR2ALDH1A1
SCHEMBL2746054 0.71 SMN1; SMN2 (0.65) SMN1; SMN2KMT2AGLAFPR2ALDH1A1
SCHEMBL7924560 0.70 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