SCHEMBL15420106

SCHEMBL15420106

COC=C1CCC(c2cc(F)cc(F)c2)CC1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 2/20 0.31
NPY5R Q15761 1/20 0.30
ESR2 Q92731 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
SCHEMBL2859850 0.84 HTR2C (0.38) HCRTR2
SCHEMBL14403054 0.80 ESR2 (0.44) ESR2
SCHEMBL8972126 0.79 HTR2A (0.36) HCRTR2ESR2
SCHEMBL12228201 0.76
SCHEMBL15420175 0.76
SCHEMBL10387595 0.75 SLC18A3 (0.42) ESR2
SCHEMBL15195708 0.74 ESR2 (0.42) ESR2
SCHEMBL16085163 0.72 MAOB (0.33)
SCHEMBL9175099 0.72 ESR2 (0.39) ESR2
SCHEMBL8436419 0.72 CHEK1 (0.39)

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
US-9605207-B2 Orthoester derivative, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2017-03-28 US disclosed
EP-2690103-A1 ORTHO ESTER DERIVATIVE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC Corporation (JP) 2014-01-29 EP disclosed
US-20140021407-A1 ORTHOESTER DERIVATIVE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2014-01-23 US disclosed