SCHEMBL10698280

SCHEMBL10698280

COC(=O)CCC=Cc1cccc(C#N)c1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P4HB P07237 13/20 0.51
PDCD1 Q15116 1/20 0.46
CD274 Q9NZQ7 1/20 0.46
CYP4F2 P78329 1/20 0.45
CYP4A11 Q02928 1/20 0.45
FBP1 P09467 1/20 0.45
MAOA P21397 2/20 0.44
MAOB P27338 2/20 0.44
AKT1 P31749 1/20 0.44
HDAC4 P56524 1/20 0.41
MEF2D Q14814 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
SCHEMBL10698275 1.00 P4HB (0.51) P4HBPDCD1CD274CYP4F2CYP4A11
SCHEMBL9514413 0.88 PDCD1 (0.57) P4HBPDCD1CD274FBP1MAOA
SCHEMBL9514417 0.88 PDCD1 (0.57) P4HBPDCD1CD274FBP1MAOA
SCHEMBL9201387 0.80 P4HB (0.47) P4HBPDCD1CD274CYP4F2CYP4A11
SCHEMBL9201390 0.80 P4HB (0.47) P4HBPDCD1CD274CYP4F2CYP4A11
SCHEMBL6947907 0.80 P4HB (0.58) P4HBPDCD1CD274MAOAMAOB
SCHEMBL21901276 0.80 SLC6A19 (0.51) CYP4F2CYP4A11MAOAMAOBAKT1
SCHEMBL9101368 0.78 TBXAS1 (0.49) P4HBPDCD1CD274FBP1MAOA
SCHEMBL7571411 0.78 AKT1 (0.62) CYP4F2CYP4A11MAOBAKT1HDAC4
SCHEMBL19452350 0.78 AKT1 (0.62) CYP4F2CYP4A11MAOBAKT1HDAC4

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-0271287-A2 Quinoline dioic acids and amides MERCK FROSST CANADA INC. (CA) 1988-06-15 EP disclosed