SCHEMBL7659168

SCHEMBL7659168

CCCCCOc1ccc2c(ccc3cc(C(F)(F)F)ccc32)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 2/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
PDK2 Q15119 2/20 0.42
THRA P10827 2/20 0.41
THRB P10828 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NR5A1 Q13285 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
FAAH O00519 1/20 0.40
PPM1A P35813 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
SCHEMBL7655732 0.99 PDE2A (0.46) PDE2ASLC6A2SLC6A4PDK2THRA
SCHEMBL7655752 0.97 PDE2A (0.43) PDE2ASLC6A2SLC6A4L3MBTL1CA12
SCHEMBL7667030 0.91 CYP1A1 (0.46) PDE2ASLC6A2SLC6A4PDK2L3MBTL1
SCHEMBL16141274 0.91 L3MBTL1 (0.47) PDE2ASLC6A2SLC6A4L3MBTL1CA12
SCHEMBL7667584 0.85 MAPT (0.51) L3MBTL1CA12CA1CA4CA6
SCHEMBL8724311 0.85 NR5A1 (0.55) THRANR5A1CA12CA1CA2
SCHEMBL7665021 0.84 PDK2 (0.43) PDK2THRATHRBNR5A1CA12
SCHEMBL12259997 0.83 NR5A1 (0.53) THRANR5A1CA12CA1CA2
SCHEMBL12259989 0.83 NR5A1 (0.53) THRANR5A1CA12CA1CA2
SCHEMBL12278287 0.83 NR5A1 (0.53) THRANR5A1CA12CA1CA2

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