SCHEMBL7658329

SCHEMBL7658329

CCCCCCOc1ccc2c(ccc3cc(OC(F)(F)F)ccc32)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.44
THRA P10827 2/20 0.44
NR5A1 Q13285 1/20 0.44
TSHR P16473 2/20 0.43
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
THRB P10828 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA3 P07451 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
MTNR1A P48039 1/20 0.40
PPM1A P35813 1/20 0.40
TP53 P04637 1/20 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
SCHEMBL7665021 0.99 PDK2 (0.43) PDK2THRANR5A1TSHRMAOA
SCHEMBL7659967 0.96 CA12 (0.43) PDK2MAOBCA12CA1CA2
SCHEMBL7661606 0.90 CA12 (0.43) PDK2TSHRMAOBCA12CA1
SCHEMBL8724311 0.88 NR5A1 (0.55) THRANR5A1TSHRCA12CA1
SCHEMBL12259989 0.86 NR5A1 (0.53) THRANR5A1TSHRCA12CA1
SCHEMBL12259997 0.86 NR5A1 (0.53) THRANR5A1TSHRCA12CA1
SCHEMBL12278287 0.86 NR5A1 (0.53) THRANR5A1TSHRCA12CA1
SCHEMBL7655732 0.84 PDE2A (0.46) PDK2THRANR5A1TSHRTHRB
SCHEMBL7666312 0.83 FAAH (0.43) THRATHRBPPM1A
SCHEMBL7658885 0.83 L3MBTL1 (0.47) PDK2MAOBTHRBCA12CA1

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