SCHEMBL9778485

SCHEMBL9778485

c1ccc(SCCOc2ccc(C3OCCCO3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.41
DRD2 P14416 2/20 0.39
DRD4 P21917 2/20 0.39
DRD3 P35462 2/20 0.39
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ALDH1A1 P00352 4/20 0.38
MAPK1 P28482 3/20 0.38
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
TSHR P16473 2/20 0.38
TDP1 Q9NUW8 2/20 0.37
KCNH2 Q12809 2/20 0.37
HRH3 Q9Y5N1 2/20 0.37
LMNA P02545 2/20 0.37
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 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
SCHEMBL9778602 0.85 MAOB (0.47) LTA4HHPGDALDH1A1TDP1KCNH2
SCHEMBL9778856 0.82 KCNA3 (0.48) LTA4HHPGDALDH1A1TDP1KCNH2
SCHEMBL9778590 0.80 NPC1 (0.51) LTA4HNPC1RAB9AMAOAMAOB
SCHEMBL9778747 0.79 MAOB (0.50) LTA4HALDH1A1TDP1HTR1AMAOA
SCHEMBL9778581 0.77 LMNA (0.50) LTA4HNPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL9778547 0.75 MAOB (0.49) LTA4HNPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL9779134 0.75 KDM4E (0.45) LTA4HHPGDSMN1; SMN2KCNH2HRH3
SCHEMBL9778697 0.75 KDM4E (0.44) DRD2DRD4DRD3ALDH1A1NPC1
SCHEMBL9778840 0.75 MAOB (0.49) LTA4HDRD2DRD3HPGDALDH1A1
SCHEMBL9808023 0.75 ALDH1A1 (0.61) DRD2DRD4DRD3ALDH1A1MAPK1

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
US-5063197-A Aromatic compound MITSUBISHI PAPER MILLS LIMITED (JP) 1991-11-05 US disclosed