SCHEMBL9770243

SCHEMBL9770243

CCSc1ccc(OCCOc2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.53
CHRNA7 P36544 3/20 0.52
CHRNB2 P17787 2/20 0.52
CHRNB4 P30926 2/20 0.52
CHRNA3 P32297 2/20 0.52
CHRNA4 P43681 2/20 0.52
DRD2 P14416 3/20 0.50
DRD4 P21917 3/20 0.50
KCNA3 P22001 1/20 0.50
PKM P14618 2/20 0.47
MAPT P10636 2/20 0.46
RAB9A P51151 1/20 0.46
ALOX5 P09917 1/20 0.46
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
LMNA P02545 1/20 0.46
HTR1D P28221 1/20 0.46
HTR1B P28222 1/20 0.46
DRD3 P35462 1/20 0.45
TAAR1 Q96RJ0 1/20 0.45

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
SCHEMBL13969406 0.84 LTA4H (0.55) LTA4HRAB9ALMNAALDH1A1
SCHEMBL8104935 0.81 TAAR1 (0.50) LTA4HTAAR1
SCHEMBL5288147 0.80 KCNA3 (0.54) LTA4HCHRNA7CHRNB2CHRNB4CHRNA3
SCHEMBL18883698 0.79 NQO1 (0.64) LTA4HPKMMAPTRAB9ALMNA
SCHEMBL9770356 0.78 NPC1 (0.63) LTA4HDRD2DRD4MAPTRAB9A
SCHEMBL10801466 0.77 LTA4H (0.75) LTA4HCHRNA7CHRNB2CHRNB4CHRNA3
SCHEMBL10441183 0.77 LTA4H (0.68) LTA4HKCNA3PKMRAB9APPARG
SCHEMBL7529643 0.76
SCHEMBL95992 0.76
SCHEMBL27962 0.76 KCNA3 (0.82) LTA4HCHRNA7CHRNB2CHRNB4CHRNA3

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-4981836-A Recording material FUJI PHOTO FILM CO., LTD. (JP) 1991-01-01 US disclosed