SCHEMBL5167477

SCHEMBL5167477

[CH](CCCC[CH]Sc1ccccc1)Sc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
MAPK1 P28482 1/20 0.40
MAPT P10636 3/20 0.39
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MGLL Q99685 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LMNA P02545 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
PLIN1 O60240 1/20 0.36
HTT P42858 1/20 0.36
PLIN5 Q00G26 1/20 0.36
ABHD5 Q8WTS1 1/20 0.36
FFAR1 O14842 1/20 0.33
KCNH2 Q12809 1/20 0.32
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31

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
SCHEMBL5195567 0.90 ALDH1A1 (0.43) ALDH1A1MAPK1MAPTHPGDSMN1; SMN2
SCHEMBL6970166 0.89 SOAT2 (0.37) ALDH1A1MAPK1SMN1; SMN2LMNAKCNH2
SCHEMBL5144120 0.88 SOAT2 (0.40) MAPK1SMN1; SMN2
SCHEMBL5077126 0.88 SOAT2 (0.40) MAPK1SMN1; SMN2
SCHEMBL5145612 0.88 SOAT2 (0.40) MAPK1SMN1; SMN2
SCHEMBL133857 0.88 ALDH1A1 (0.32) ALDH1A1MAPK1MAPTHPGDSMN1; SMN2
SCHEMBL6966310 0.87 KCNH2 (0.36) ALDH1A1MAPK1MAPTHPGDSMN1; SMN2
SCHEMBL9347870 0.81 ALDH1A1 (0.37) ALDH1A1MAPK1MAPTHPGDSMN1; SMN2
SCHEMBL3759405 0.81 KCNH2 (0.38) ALDH1A1MAPK1MAPTHPGDSMN1; SMN2
SCHEMBL3071242 0.75 ALDH1A1 (0.40) ALDH1A1MAPK1MAPTHPGDSMN1; SMN2

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-1195259-B1 Sheet for ink jet-recording OJI PAPER CO (JP) 2007-04-25 EP claimed