SCHEMBL7766443

SCHEMBL7766443

CCCc1ccc(CCc2ccc([Mg]Br)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LPL P06858 2/20 0.43
LIPG Q9Y5X9 2/20 0.43
CA2 P00918 1/20 0.41
GPR84 Q9NQS5 1/20 0.40
MGLL Q99685 1/20 0.38
PLK1 P53350 1/20 0.38
POLB P06746 2/20 0.38
CTDSP1 Q9GZU7 2/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
THRB P10828 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
NISCH Q9Y2I1 1/20 0.34
HTR1D P28221 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
TAAR1 Q96RJ0 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
SCHEMBL3044257 0.98 LPL (0.45) LPLLIPGCA2GPR84MGLL
SCHEMBL337129 0.84 CA2 (0.48) LPLLIPGCA2MGLLPLK1
SCHEMBL9720081 0.83 ESR1 (0.53) LPLLIPGCA2MGLLTHRB
SCHEMBL10426156 0.81 PTGS2 (0.57) LPLLIPGMGLLTHRBKDM4E
SCHEMBL18281616 0.81 PTGS2 (0.57) LPLLIPGMGLLTHRBKDM4E
SCHEMBL2561141 0.81 PTGS2 (0.57) LPLLIPGMGLLTHRBKDM4E
SCHEMBL15302863 0.81 PTGS2 (0.57) LPLLIPGMGLLTHRBKDM4E
SCHEMBL4882552 0.81 PTGS2 (0.57) LPLLIPGMGLLTHRBKDM4E
SCHEMBL9839848 0.80 LPL (0.59) LPLLIPGCA2GPR84MGLL
SCHEMBL154352 0.78 TP53 (0.43) LPLLIPGCA2MGLLPLK1

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-0676402-B1 A silacyclohexane compound, a method of preparing it and a liquid crystal composition containing it SHINETSU CHEMICAL CO (JP) 2001-07-04 EP disclosed
US-5578244-A Silacyclohexane compound, a method of preparing it and a liquid crystal composition containing it SHIN-ETSU CHEMICAL CO., LTD. (JP) 1996-11-26 US disclosed
EP-0676402-A1 A silacyclohexane compound, a method of preparing it and a liquid crystal composition containing it Shin-Etsu Chemical Co., Ltd. (JP) 1995-10-11 EP disclosed