SCHEMBL6896793

SCHEMBL6896793

CCC[C@H]1CC[C@H](C2CCC(OC(=S)c3ccc(OC)c(F)c3F)CC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.34
HTR4 Q13639 2/20 0.34
MAPT P10636 2/20 0.32
HTR2A P28223 1/20 0.32
ALDH1A1 P00352 2/20 0.31
HTT P42858 1/20 0.31
HTR1A P08908 2/20 0.31
DRD2 P14416 2/20 0.31
DRD4 P21917 2/20 0.31
DRD3 P35462 2/20 0.31
HTR2B P41595 2/20 0.31
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 2/20 0.31
SLC6A3 Q01959 2/20 0.31
LMNA P02545 1/20 0.31
THRB P10828 1/20 0.31
ALOX12 P18054 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HPGD P15428 1/20 0.30
APOBEC3G Q9HC16 1/20 0.30

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
SCHEMBL6896795 1.00 ACHE (0.34) ACHEHTR4MAPTHTR2AALDH1A1
SCHEMBL6895370 0.86 MEN1 (0.38) ACHEHTR4MAPTALDH1A1HTT
SCHEMBL6895361 0.86 MEN1 (0.38) ACHEHTR4MAPTALDH1A1HTT
SCHEMBL6895375 0.86 MEN1 (0.38) ACHEHTR4MAPTALDH1A1HTT
SCHEMBL6895366 0.86 MEN1 (0.38) ACHEHTR4MAPTALDH1A1HTT
SCHEMBL6894990 0.81 TLR4 (0.31) ACHEHTR4
SCHEMBL17614880 0.80 ACHE (0.39) ACHEHTR4MAPTHTR2AALDH1A1
SCHEMBL20390056 0.80 PDE4D (0.38) ACHEHTR4MAPTALDH1A1HTT
SCHEMBL9562677 0.76 PDE4B (0.38) MAPTHTR2AALDH1A1HTTHTR2B
SCHEMBL15445817 0.76 PDE4B (0.38) MAPTHTR2AALDH1A1HTTHTR2B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1081123-B1 2,3-Difluorophenyl derivative having negative dielectric anisotropy, liquid crystal composition, and liquid crystal display device CHISSO CORP (JP) 2004-03-03 EP disclosed
US-6548126-B1 Reduced electric power consumption and decreased leakage of electromagnetic waves CHISSO CORPORATION (JP) 2003-04-15 US disclosed
EP-1081123-A2 2,3-Difluorophenyl derivative having negative dielectric anisotropy, liquid crystal composition, and liquid crystal display device CHISSO CORPORATION (JP) 2001-03-07 EP disclosed