SCHEMBL8417237

SCHEMBL8417237

CCCC1CCC(CC[Mg]Br)CC1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.39
LMNA P02545 2/20 0.33
MAPK1 P28482 2/20 0.33
HTT P42858 1/20 0.33
CYP2C9 P11712 1/20 0.33
ALDH1A1 P00352 2/20 0.31
KMT2A Q03164 2/20 0.31
MAPT P10636 2/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL8417235 1.00 CYP1A2 (0.39) CYP1A2LMNAMAPK1HTTCYP2C9
SCHEMBL8417217 0.88 CYP1A2 (0.54) CYP1A2LMNAMAPK1HTTCYP2C9
SCHEMBL8415891 0.88 CYP1A2 (0.54) CYP1A2LMNAMAPK1HTTCYP2C9
SCHEMBL6711921 0.87
SCHEMBL8415898 0.86 CYP1A2 (0.34) CYP1A2
SCHEMBL129995 0.79
SCHEMBL5691374 0.79 CYP1A2 (0.48) CYP1A2LMNAMAPK1HTTCYP2C9
SCHEMBL4182684 0.77
SCHEMBL1142932 0.76 CYP1A2 (0.39) CYP1A2LMNAMAPK1HTTCYP2C9
SCHEMBL10603096 0.76 CYP1A2 (0.39) CYP1A2LMNAMAPK1HTTCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0648773-B1 A silacyclohexane compound, a method of preparing it and a liquid crystal composition containing it SHINETSU CHEMICAL CO (JP) 1999-09-08 EP disclosed
US-5547606-A Silacyclohexane compound, a method of preparing it and a liquid crystal composition containing it SHIN-ETSU CHEMICAL CO., LTD. (JP) 1996-08-20 US disclosed
US-5523439-A Process for preparing silacyclohexane compounds SHIN-ETSU CHEMICAL CO., LTD. (JP) 1996-06-04 US disclosed
EP-0696592-A1 Process for preparing silacyclohexane compounds SHIN-ETSU CHEMICAL CO., LTD. (JP) 1996-02-14 EP disclosed
EP-0648773-A1 A silacyclohexane compound, a method of preparing it and a liquid crystal composition containing it Shin-Etsu Chemical Co., Ltd. (JP) 1995-04-19 EP disclosed