SCHEMBL17072248

SCHEMBL17072248

CCCC1CCC(C2CCC(c3ccc(B4OC(C)(C)C(C)(C)O4)cc3)CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP2C9 P11712 1/20 0.46
LPL P06858 11/20 0.46
LIPG Q9Y5X9 11/20 0.46
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
HIF1A Q16665 1/20 0.37
ESR2 Q92731 2/20 0.36
F11 P03951 1/20 0.35
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 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
SCHEMBL12190257 0.96 MEN1 (0.50) MEN1MAPK1KMT2ACYP2C9LPL
SCHEMBL22483430 0.91 LPL (0.49) MEN1MAPK1KMT2ACYP2C9LPL
SCHEMBL12190256 0.87 LPL (0.52) MEN1MAPK1KMT2ACYP2C9LPL
SCHEMBL30278509 0.85 LPL (0.47) MEN1MAPK1KMT2ACYP2C9LPL
SCHEMBL16787835 0.85 LPL (0.47) MEN1MAPK1KMT2ACYP2C9LPL
SCHEMBL22820280 0.84 LPL (0.49) MEN1MAPK1KMT2ACYP2C9LPL
SCHEMBL16112310 0.83 LPL (0.52) LPLLIPGHIF1AESR2F11
SCHEMBL14804365 0.83 LPL (0.52) LPLLIPGHIF1AESR2F11
SCHEMBL9159110 0.81 CYP2C9 (0.63) MEN1MAPK1KMT2ACYP2C9ALDH1A1
SCHEMBL9159091 0.81 CYP2C9 (0.63) MEN1MAPK1KMT2ACYP2C9ALDH1A1

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
CN-103725292-B Negative dielectric anisotropy liquid crystal compound and liquid crystal composition comprising same DAXIN MATERIALS CORP. (CN) 2016-01-20 CN disclosed
US-9133396-B2 Liquid crystal compound having negative dielectric anisotropy, and liquid crystal composition DAXIN MATERIALS CORP. (TW) 2015-09-15 US disclosed
US-9133396-B2 Liquid crystal compound having negative dielectric anisotropy, and liquid crystal composition DAXIN MATERIALS CORP. (TW) 2015-09-15 US disclosed
US-9133396-B2 Liquid crystal compound having negative dielectric anisotropy, and liquid crystal composition DAXIN MATERIALS CORP. (TW) 2015-09-15 US disclosed
CN-103725292-A Negative dielectric anisotropy liquid crystal compound and liquid crystal composition comprising same DAXIN MATERIALS CORP 2014-04-16 CN disclosed