SCHEMBL7901827

SCHEMBL7901827

CCCC1CCC(C2CCC(CCCCC3CCC(C(=O)CC)CC3)CC2)CC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.44
TLR4 O00206 2/20 0.43
HTT P42858 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP2C9 P11712 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42
TP53 P04637 1/20 0.41
LMNA P02545 2/20 0.41
MAPK1 P28482 1/20 0.41
CCR2 P41597 1/20 0.37
MAPT P10636 2/20 0.37
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL10705072 0.94 TLR4 (0.47) PKMTLR4HTTMEN1KMT2A
SCHEMBL10485935 0.94 TLR4 (0.47) PKMTLR4HTTMEN1KMT2A
SCHEMBL10485928 0.94 TLR4 (0.47) PKMTLR4HTTMEN1KMT2A
SCHEMBL13267652 0.93 PKM (0.51) PKMTLR4HTTMEN1KMT2A
SCHEMBL15712882 0.89 CYP2C9 (0.42) PKMTLR4HTTMEN1KMT2A
SCHEMBL17002058 0.87 PKM (0.55) PKMHTTMEN1KMT2ACYP2C9
SCHEMBL13267657 0.87 PKM (0.55) PKMHTTMEN1KMT2ACYP2C9
SCHEMBL10479667 0.87 CYP2C9 (0.41) PKMTLR4HTTMEN1KMT2A
SCHEMBL10479670 0.87 CYP2C9 (0.41) PKMTLR4HTTMEN1KMT2A
SCHEMBL13267742 0.85 HTT (0.56) PKMHTTMEN1KMT2ACYP2C9

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