SCHEMBL7655732

SCHEMBL7655732

CCCCCCOc1ccc2c(ccc3cc(C(F)(F)F)ccc32)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 2/20 0.46
THRA P10827 2/20 0.43
PDK2 Q15119 2/20 0.43
THRB P10828 1/20 0.43
NR5A1 Q13285 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
TSHR P16473 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
FAAH O00519 1/20 0.40
MTNR1A P48039 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
SCHEMBL7659168 0.99 PDE2A (0.44) PDE2ATHRAPDK2THRBNR5A1
SCHEMBL7655752 0.96 PDE2A (0.43) PDE2ASLC6A2SLC6A4L3MBTL1FAAH
SCHEMBL7667030 0.90 CYP1A1 (0.46) PDE2APDK2SLC6A2SLC6A4L3MBTL1
SCHEMBL16141274 0.90 L3MBTL1 (0.47) PDE2ASLC6A2SLC6A4L3MBTL1FAAH
SCHEMBL8724311 0.87 NR5A1 (0.55) THRANR5A1TSHRMTNR1A
SCHEMBL12259989 0.85 NR5A1 (0.53) THRANR5A1TSHRMTNR1A
SCHEMBL12259997 0.85 NR5A1 (0.53) THRANR5A1TSHRMTNR1A
SCHEMBL12278287 0.85 NR5A1 (0.53) THRANR5A1TSHRMTNR1A
SCHEMBL7658329 0.84 PDK2 (0.44) THRAPDK2THRBNR5A1TSHR
SCHEMBL7667584 0.84 MAPT (0.51) L3MBTL1PPM1A

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