SCHEMBL7658781

SCHEMBL7658781

CCCCc1ccc2c(ccc3cc(C(F)(F)F)ccc32)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF4A1 P60842 1/20 0.43
PLK1 P53350 1/20 0.40
SKP2 Q13309 1/20 0.39
MCHR1 Q99705 1/20 0.38
KCNA3 P22001 1/20 0.38
ROCK1 Q13464 1/20 0.37
TRPV1 Q8NER1 2/20 0.36
ADRA2C P18825 2/20 0.36
SLC6A2 P23975 2/20 0.36
HTR2C P28335 2/20 0.36
SLC6A4 P31645 2/20 0.36
OPRM1 P35372 2/20 0.36
DRD3 P35462 2/20 0.36
CASR P41180 2/20 0.36
MLNR O43193 1/20 0.36
ABCB11 O95342 1/20 0.36
ADRB1 P08588 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
CYP2D6 P10635 1/20 0.36
CHRM1 P11229 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
SCHEMBL7665390 0.95 PLK1 (0.44) EIF4A1PLK1MCHR1KCNA3TRPV1
SCHEMBL7666152 0.94 PLK1 (0.46) EIF4A1PLK1KCNA3TRPV1ADRA2C
SCHEMBL7659349 0.90 NCEH1 (0.40) EIF4A1MCHR1ROCK1ADRA2CSLC6A4
SCHEMBL7668448 0.83 CYP1A2 (0.46) ROCK1ADRA2CHTR2CSLC6A4DRD3
SCHEMBL3157878 0.81 MPL (0.43) EIF4A1MCHR1ADORA3PSMB5
SCHEMBL3157719 0.80 MPL (0.42) EIF4A1MCHR1ADORA3PSMB5
SCHEMBL3158592 0.80 MAOB (0.45) EIF4A1ADORA3
SCHEMBL3160460 0.79 MPL (0.43) EIF4A1MCHR1ADORA3PSMB5
SCHEMBL5686594 0.79 MAOB (0.44) MCHR1SLC6A2TAAR1
SCHEMBL7661369 0.79 SKP2 (0.42) EIF4A1SKP2SLC6A2SLC6A4HTT

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