SCHEMBL7668487

SCHEMBL7668487

CCCOc1ccc2c(c1)CCc1cc(OC(F)(F)F)ccc1-2

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.50
SLC2A1 P11166 1/20 0.46
PDK2 Q15119 2/20 0.45
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
GPR3 P46089 2/20 0.41
FFAR4 Q5NUL3 2/20 0.41
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41
GRIN2B Q13224 1/20 0.41
HRH3 Q9Y5N1 3/20 0.40
CHRM5 P08912 2/20 0.40
MAOA P21397 1/20 0.40
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39

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
SCHEMBL7659968 0.94 MAOB (0.53) MAOBSLC2A1PDK2GPR3FFAR4
SCHEMBL7664962 0.92 MAOB (0.51) MAOBPDK2GPR3FFAR4PPARD
SCHEMBL7656564 0.90 MAOB (0.50) MAOBPDK2FFAR4PPARDPPARA
SCHEMBL7668645 0.88 MAOB (0.46) MAOBPDK2CA1CA2CA7
SCHEMBL7658386 0.85 MAOB (0.50) MAOBSLC2A1PDK2CA1CA2
SCHEMBL7660282 0.82 GRIN2B (0.45) MAOBGPR3GRIN2BCHRM5MAOA
SCHEMBL7664743 0.82 SLC2A1 (0.48) MAOBSLC2A1PDK2CA1CA2
SCHEMBL7663418 0.81 GRIN2B (0.43) MAOBPDK2GPR3GRIN2BCHRM5
SCHEMBL7665423 0.80 CYP1A2 (0.48) GPR3GRIN2BCHRM5
SCHEMBL7653296 0.79 MAOB (0.53) MAOBPDK2PPARDPPARAHRH3

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-6495220-B2 WITH POSITIVE DIELECTRIC ANISOTROPY AND FAVORABLE VISCOSITY; THERMAL, LIGHT AND ULTRAVIOLET STABILITY; USE IN PORTABLE TELEPHONES AND NOTEBOOK COMPUTERS CLARIANT INTERNATIONAL LTD. (CH) 2002-12-17 US disclosed
US-20010023935-A1 With positive dielectric anisotropy and favorable viscosity; thermal, light and ultraviolet stability; use in portable telephones and notebook computers CLARIANT INTERNATIONAL LTD. (CH) 2001-09-27 US disclosed