SCHEMBL9706354

SCHEMBL9706354

CCCCCC(Br)C(F)C(F)COc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 2/20 0.43
▸ LMNA P02545 3/20 0.39
▸ MAOA P21397 2/20 0.38
▸ MLNR O43193 1/20 0.38
▸ NR1I2 O75469 1/20 0.38
▸ ESR1 P03372 1/20 0.38
▸ NR3C1 P04150 1/20 0.38
▸ PGR P06401 1/20 0.38
▸ ADRB2 P07550 1/20 0.38
▸ CHRM2 P08172 1/20 0.38
▸ ADRB1 P08588 1/20 0.38
▸ HTR1A P08908 1/20 0.38
▸ ADRA2A P08913 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ ADRA2B P18089 1/20 0.38
▸ ADRA2C P18825 1/20 0.38
▸ CHRM3 P20309 1/20 0.38
▸ CNR1 P21554 1/20 0.38

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
SCHEMBL9706391 0.96 LTA4H (0.42) LTA4HLMNAMAOAMLNRNR1I2
SCHEMBL9345806 0.83 LTA4H (0.49) LTA4HLMNAMAOAMLNRNR1I2
SCHEMBL9706360 0.82 LTA4H (0.47) LTA4HLMNAMAOAMLNRNR1I2
SCHEMBL9346740 0.82 LTA4H (0.47) LTA4HLMNAMAOAMLNRNR1I2
SCHEMBL9706390 0.82 LTA4H (0.42) LTA4HLMNAMAOAMLNRNR1I2
SCHEMBL9145350 0.80 LTA4H (0.50) LTA4HLMNAMAOAMLNRNR1I2
SCHEMBL9317813 0.78 LTA4H (0.42) LTA4HLMNAMAOAMLNRNR1I2
SCHEMBL11871818 0.77 LTA4H (0.49) LTA4HLMNAMAOAMLNRNR1I2
SCHEMBL10451366 0.77 LTA4H (0.49) LTA4HLMNAMAOAMLNRNR1I2
SCHEMBL9145900 0.77 LTA4H (0.49) LTA4HLMNAMAOAMLNRNR1I2

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-0500210-A2 Liquid crystal compounds and compositions SANYO CHEMICAL INDUSTRIES, LTD. (JP) 1992-08-26 — — EP disclosed
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