SCHEMBL6232499

SCHEMBL6232499

CN(C)CC(=C=O)c1ccc(OCc2c(F)cccc2F)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.42
EGFR P00533 4/20 0.41
PARP15 Q460N3 1/20 0.39
PARP14 Q460N5 1/20 0.39
PARP10 Q53GL7 1/20 0.39
ALKBH1 Q13686 1/20 0.37
LPAR1 Q92633 1/20 0.37
LPAR5 Q9H1C0 1/20 0.37
RAB9A P51151 1/20 0.36
LTB4R Q15722 2/20 0.36
LTB4R2 Q9NPC1 2/20 0.36
NR4A2 P43354 1/20 0.36
MAOA P21397 1/20 0.36

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
SCHEMBL6235970 0.81 LTB4R (0.46) RAB9ALTB4RLTB4R2
SCHEMBL5776317 0.78 ALDH1A1 (0.49) PARP10RAB9A
SCHEMBL5567586 0.75 SMN1; SMN2 (0.41) MAOBRAB9AMAOA
SCHEMBL2087289 0.75 MAOB (0.70) MAOBMAOA
SCHEMBL290340 0.74 CES2 (0.46) MAOBPARP10MAOA
SCHEMBL2087038 0.73 NR4A2 (0.61) MAOBPARP15PARP14PARP10ALKBH1
SCHEMBL6687945 0.72 MAPT (0.58) MAOBPARP15PARP14PARP10RAB9A
SCHEMBL5666967 0.72 SLC6A4 (0.45)
SCHEMBL7031067 0.70 LMNA (0.52) MAOBPARP15PARP14PARP10ALKBH1
SCHEMBL2088021 0.70 ALDH1A1 (0.59) MAOBPARP15PARP14PARP10RAB9A

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
WO-2005000309-A2 CHEMICAL COMPOUNDS IONIX PHARMACEUTICALS LIMITED (GB) 2005-01-06 WO disclosed