SCHEMBL7658885

SCHEMBL7658885

CCOc1ccc2c(ccc3cc(OC(F)(F)F)ccc32)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PPM1A P35813 3/20 0.42
NQO1 P15559 1/20 0.42
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CYP1A2 P05177 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
KIF11 P52732 1/20 0.41
CYP11B1 P15538 2/20 0.40

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
SCHEMBL7659967 0.87 CA12 (0.43) PPM1ACA12CA1CA4CA6
SCHEMBL7661606 0.87 CA12 (0.43) ALDH1A1MAPTHSD17B10PPM1ACA12
SCHEMBL18417197 0.86 NQO1 (0.56) L3MBTL1ALDH1A1MAPTHSD17B10PPM1A
SCHEMBL7665021 0.84 PDK2 (0.43) PPM1ACA12CA1CA4CA6
SCHEMBL12259987 0.84 NQO1 (0.54) L3MBTL1ALDH1A1MAPTHSD17B10PPM1A
SCHEMBL7659214 0.83 CYP1A2 (0.47) ALDH1A1PPM1AAKR1C3AKR1C2CYP1A2
SCHEMBL7658329 0.83 PDK2 (0.44) PPM1ACA12CA1CA4CA6
SCHEMBL12269044 0.82 NQO1 (0.52) L3MBTL1ALDH1A1MAPTHSD17B10PPM1A
SCHEMBL7667584 0.82 MAPT (0.51) L3MBTL1ALDH1A1MAPTHSD17B10PPM1A
SCHEMBL7665474 0.81 PPM1A (0.54) MAPTPPM1ACYP1A2KIF11GPR3

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