SCHEMBL8388307

SCHEMBL8388307

ClCc1ccc(OCCCSc2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.55
DRD4 P21917 4/20 0.55
DRD3 P35462 2/20 0.55
LTA4H P09960 2/20 0.47
ALDH1A1 P00352 4/20 0.45
MAPK1 P28482 1/20 0.45
KCNA3 P22001 1/20 0.44
NPC1 O15118 2/20 0.43
MAPT P10636 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PLA2G2A P14555 1/20 0.42
PLA2G4B P0C869 2/20 0.41
PLA2G4A P47712 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 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
SCHEMBL8388326 0.83 DRD2 (0.51) DRD2DRD4DRD3LTA4HALDH1A1
SCHEMBL1445771 0.83 DRD2 (0.75) DRD2DRD4DRD3ALDH1A1MAPK1
SCHEMBL8616998 0.82 KCNA3 (0.67) DRD2DRD4DRD3LTA4HALDH1A1
Diphenylsulfane SCHEMBL1047048 0.81 LTA4H (0.53) LTA4H
SCHEMBL8391278 0.80 KCNA3 (0.56) DRD2DRD4DRD3LTA4HALDH1A1
SCHEMBL9808097 0.78 KCNA3 (0.67) DRD2DRD4DRD3LTA4HALDH1A1
SCHEMBL8546938 0.78 KCNA3 (0.50) KCNA3NPC1RAB9A
SCHEMBL8391270 0.77 FFAR1 (0.63) DRD2DRD4DRD3LTA4HNPC1
SCHEMBL3094303 0.76 FFAR1 (0.64) DRD2DRD4DRD3LTA4HKCNA3
SCHEMBL17478146 0.76 HRH3 (0.42) LTA4HALDH1A1KCNA3MAPTSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5965743-A AS ANTIHYPERLIPEMIC AGENT; THERAPEUTIC AND PREVENTIVE DRUGS FOR ARTERIOSCLEROSIS NIPPON SODA CO., LTD. (JP) 1999-10-12 US disclosed
EP-0757988-A1 IMIDAZOLE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME NIPPON SODA CO., LTD. (JP) 1997-02-12 EP disclosed