SCHEMBL7901946

SCHEMBL7901946

CC=CCCC1CCC(CCCCC2CCC(CC=CC)CC2)CC1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
CYP1A2 P05177 1/20 0.30
LMNA P02545 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 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
SCHEMBL7901943 1.00 NOS1 (0.32) NOS1NOS2CYP1A2LMNAMAPK1
SCHEMBL7909725 0.92 CYP1A2 (0.34) CYP1A2LMNAMAPK1HTT
SCHEMBL7909729 0.92 CYP1A2 (0.34) CYP1A2LMNAMAPK1HTT
SCHEMBL7909870 0.92 NOS2 (0.35) NOS1NOS2CYP1A2
SCHEMBL7911976 0.92 NOS2 (0.35) NOS1NOS2CYP1A2
SCHEMBL7910017 0.92 NOS2 (0.35) NOS1NOS2CYP1A2
SCHEMBL7909866 0.92 NOS2 (0.35) NOS1NOS2CYP1A2
SCHEMBL7910020 0.92 NOS2 (0.35) NOS1NOS2CYP1A2
SCHEMBL7912130 0.89 CYP1A2 (0.31) CYP1A2LMNAMAPK1HTT
SCHEMBL7909185 0.89 CYP1A2 (0.38) CYP1A2LMNAMAPK1HTT

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-0750028-B1 Alkenylcyclohexane derivatives, liquid crystal composition and liquid crystal display element CHISSO CORP (JP) 2001-04-18 EP disclosed
US-5776367-A Alkenylcyclohexane derivatives, liquid crystal composition and liquid crystal display element CHISSO CORPORATION (JP) 1998-07-07 US disclosed
EP-0750028-A2 Alkenylcyclohexane derivatives, liquid crystal composition and liquid crystal display element Chisso Corporation (JP) 1996-12-27 EP disclosed