SCHEMBL8736465

SCHEMBL8736465

CCCCCC1=CCC(C2CCC(CCC)CC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 2/20 0.39
CYP1A2 P05177 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
SCHEMBL8736462 1.00 TLR4 (0.39) TLR4CYP1A2
SCHEMBL9649549 0.94 TLR4 (0.33) TLR4CYP1A2
SCHEMBL9649531 0.94 TLR4 (0.33) TLR4CYP1A2
SCHEMBL28202672 0.90
SCHEMBL9351121 0.90 SPHK1 (0.36) TLR4
SCHEMBL7907385 0.89 TLR4 (0.41) TLR4
SCHEMBL7907380 0.89 TLR4 (0.41) TLR4
SCHEMBL9352102 0.88 SPHK1 (0.39)
SCHEMBL8015863 0.88 CYP1A2 (0.33) TLR4CYP1A2
SCHEMBL9354831 0.85 TLR4 (0.35) TLR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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