SCHEMBL6235970

SCHEMBL6235970

COc1cc(C(=C=O)CN(C)C)ccc1OCc1c(F)cccc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 2/20 0.46
LTB4R2 Q9NPC1 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
PIK3CG P48736 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.39
PDE4D Q08499 1/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
KDM4E B2RXH2 2/20 0.38
MRGPRX4 Q96LA9 2/20 0.37
TSHR P16473 1/20 0.37
GAA P10253 1/20 0.37
ELANE P08246 1/20 0.37
EED O75530 1/20 0.37
ALDH1A1 P00352 1/20 0.37
THRA P10827 1/20 0.36
THRB P10828 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
SCHEMBL6232499 0.81 MAOB (0.42) LTB4RLTB4R2RAB9A
SCHEMBL14611120 0.78 TSHR (0.61) LTB4RLTB4R2SMN1; SMN2NPC1RAB9A
SCHEMBL6239905 0.78 KMT2A (0.52) LTB4RLTB4R2SMN1; SMN2PIK3CGNPC1
SCHEMBL16964474 0.74 TAS1R3 (0.43) HPGDHTTPDE4DMEN1KMT2A
SCHEMBL16964035 0.73 TAS1R3 (0.43) SMN1; SMN2NPC1RAB9AHPGDHTT
SCHEMBL16963959 0.73 ALDH1A1 (0.54) SMN1; SMN2RAB9AHPGDHTTMEN1
SCHEMBL8807187 0.70 GAA (0.55) SMN1; SMN2PIK3CGHTTMEN1KMT2A
SCHEMBL290350 0.70 ALDH1A1 (0.43) HTTPDE4DMEN1KMT2AKDM4E
SCHEMBL6234745 0.70 ALDH1A1 (0.62) SMN1; SMN2NPC1RAB9AHPGDHTT
SCHEMBL6239908 0.69 SMN1; SMN2 (0.53) SMN1; SMN2PIK3CGNPC1RAB9AHTT

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