SCHEMBL8045360

SCHEMBL8045360

CCCCC1CCC([C@H]2CC[C@H](CCC)CC2)CC1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.58
HTT P42858 2/20 0.47
LMNA P02545 1/20 0.47
MAPK1 P28482 1/20 0.47
MAPT P10636 1/20 0.42
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
TLR4 O00206 2/20 0.38
PKM P14618 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP2C9 P11712 2/20 0.33
NOS1 P29475 2/20 0.33
NOS2 P35228 2/20 0.33
NAAA Q02083 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
TP53 P04637 1/20 0.33
EPHX1 P07099 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
SCHEMBL6458707 1.00 CYP1A2 (0.58) CYP1A2HTTLMNAMAPK1MAPT
SCHEMBL7507829 1.00 CYP1A2 (0.58) CYP1A2HTTLMNAMAPK1MAPT
SCHEMBL8219100 1.00 CYP1A2 (0.58) CYP1A2HTTLMNAMAPK1MAPT
SCHEMBL8220803 0.98 CYP1A2 (0.56) CYP1A2HTTLMNAMAPK1MAPT
SCHEMBL8218454 0.98 CYP1A2 (0.56) CYP1A2HTTLMNAMAPK1MAPT
SCHEMBL10486366 0.95 CYP1A2 (0.64) CYP1A2HTTLMNAMAPK1MAPT
SCHEMBL10486374 0.95 CYP1A2 (0.64) CYP1A2HTTLMNAMAPK1MAPT
SCHEMBL10706384 0.95 CYP1A2 (0.64) CYP1A2HTTLMNAMAPK1MAPT
SCHEMBL9416793 0.93 CYP1A2 (0.50) CYP1A2HTTLMNAMAPK1MAPT
SCHEMBL4653185 0.93 CYP1A2 (0.50) CYP1A2HTTLMNAMAPK1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0700982-B1 A liquid crystal composition and a liquid crystal display element using the same CHISSO CORP (JP) 2000-04-26 EP disclosed
EP-0688754-B1 DICYCLOHEXYLETHYLENE DERIVATIVE CHISSO CORP (JP) 1998-10-07 EP disclosed
EP-0597701-B1 Conjugated enyne derivative and liquid crystal composition CHISSO CORP (JP) 1997-04-16 EP disclosed
EP-0700982-A1 A liquid crystal composition and a liquid crystal display element using the same Chisso Corporation (JP) 1996-03-13 EP disclosed
EP-0688754-A1 DICYCLOHEXYLETHYLENE DERIVATIVE CHISSO CORPORATION (JP) 1995-12-27 EP disclosed
EP-0597701-A1 Conjugated enyne derivative and liquid crystal composition CHISSO CORPORATION (JP) 1994-05-18 EP disclosed
EP-0132553-B1 BICYCLOHEXYLES MERCK PATENT GmbH (DE) 1988-02-10 EP disclosed