SCHEMBL6895375

SCHEMBL6895375

CCC[C@H]1CC[C@H]([C@H]2CC[C@H](OC(=O)c3ccc(OC)c(F)c3F)CC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ACHE P22303 2/20 0.38
HTR4 Q13639 2/20 0.38
NAAA Q02083 1/20 0.37
HTR1A P08908 2/20 0.35
DRD2 P14416 2/20 0.35
DRD4 P21917 2/20 0.35
DRD3 P35462 2/20 0.35
HTR2B P41595 2/20 0.35
CYP2C9 P11712 1/20 0.34
PDE4D Q08499 2/20 0.33
PIN1 Q13526 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
SCN1A P35498 1/20 0.33
SCN2A Q99250 1/20 0.33
SCN3A Q9NY46 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL6895370 1.00 MEN1 (0.38) MEN1KMT2AACHEHTR4NAAA
SCHEMBL6895366 1.00 MEN1 (0.38) MEN1KMT2AACHEHTR4NAAA
SCHEMBL6895361 1.00 MEN1 (0.38) MEN1KMT2AACHEHTR4NAAA
SCHEMBL9406321 0.87 CYP2C9 (0.36) MEN1KMT2ANAAACYP2C9SCN1A
SCHEMBL9406318 0.87 CYP2C9 (0.36) MEN1KMT2ANAAACYP2C9SCN1A
SCHEMBL6896795 0.86 ACHE (0.34) ACHEHTR4HTR1ADRD2DRD4
SCHEMBL6896793 0.86 ACHE (0.34) ACHEHTR4HTR1ADRD2DRD4
SCHEMBL9406216 0.85 SCN1A (0.33) NAAACYP2C9SCN1ASCN2ASCN3A
SCHEMBL9457310 0.85 SCN1A (0.33) NAAACYP2C9SCN1ASCN2ASCN3A
SCHEMBL9457323 0.85 SCN1A (0.33) NAAACYP2C9SCN1ASCN2ASCN3A

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