SCHEMBL7787604

SCHEMBL7787604

C=C1CCC(c2ccc(OCC)c(F)c2F)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.35
FPR2 P25090 5/20 0.33
HTR2A P28223 3/20 0.33
ESR2 Q92731 1/20 0.33
HCRTR2 O43614 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
HTR1A P08908 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
MAPT P10636 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL14922531 0.87 KDM1A (0.41) KDM1AFPR2HTR2AHCRTR2PTGDR2
SCHEMBL1243882 0.85 HCRTR2 (0.38) KDM1AHTR2AESR2HCRTR2PTGDR2
SCHEMBL13293498 0.83 KDM1A (0.33) KDM1AFPR2
SCHEMBL17827785 0.83 KDM1A (0.38) KDM1AFPR2HTR2AHCRTR2PTGDR2
SCHEMBL26209563 0.83 KDM1A (0.38) KDM1AFPR2HTR2AHCRTR2PTGDR2
SCHEMBL26209540 0.83 KDM1A (0.38) KDM1AFPR2HTR2AHCRTR2PTGDR2
SCHEMBL17827780 0.83 KDM1A (0.38) KDM1AFPR2HTR2AHCRTR2PTGDR2
SCHEMBL15681397 0.83 PTGDR2 (0.43) KDM1APTGDR2MAPTALDH1A1MEN1
SCHEMBL12156539 0.81 ALDH1A1 (0.37) KDM1AFPR2HTR2AESR2HCRTR2
SCHEMBL15381624 0.81 FPR2 (0.39) KDM1AFPR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1160250-A1 Silicon derivative, liquid crystal composition and liquid crystal display CHISSO CORPORATION (JP) 2001-12-05 EP disclosed