SCHEMBL8218872

SCHEMBL8218872

C=C(CCCC)C1CCC(C2CCC(CCC)CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
TLR4 O00206 2/20 0.34
PKM P14618 1/20 0.34
MAPT P10636 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TP53 P04637 1/20 0.32
GNAI3 P08754 2/20 0.31
GNAO1 P09471 2/20 0.31
GNAI1 P63096 2/20 0.31

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
SCHEMBL8221950 0.92 CYP1A2 (0.43) HTTLMNAMAPK1CYP1A2CYP2D6
SCHEMBL4836366 0.83
SCHEMBL12889696 0.81 TLR4 (0.35) HTTLMNAMAPK1CYP2C9TLR4
SCHEMBL21321660 0.77 HTT (0.41) HTTLMNAMAPK1CYP1A2CYP2D6
SCHEMBL8218322 0.77 TLR4 (0.36) HTTLMNAMAPK1CYP2C9TLR4
SCHEMBL12889682 0.76 LMNA (0.38) HTTLMNAMAPK1CYP1A2CYP2D6
SCHEMBL5791003 0.76 LMNA (0.38) HTTLMNAMAPK1CYP1A2CYP2D6
SCHEMBL6458707 0.75 CYP1A2 (0.58) HTTLMNAMAPK1CYP1A2CYP2D6
SCHEMBL7507829 0.75 CYP1A2 (0.58) HTTLMNAMAPK1CYP1A2CYP2D6
SCHEMBL8219100 0.75 CYP1A2 (0.58) HTTLMNAMAPK1CYP1A2CYP2D6

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
US-6143198-A SUITABLE FOR USE AS ELECTRO-OPTICAL DISPLAY MATERIALS; LIQUID CRYSTALLINE COMPOUND HAVING A LARGE ELASTIC CONSTANT RATIO, EXCELLENT COMPATIBILITY WITH OTHER LIQUID CRYSTALLINE COMPOUND, AND LOW TEMPERATURE CHEMICAL STABILITY CHISSO CORPORATION (JP) 2000-11-07 US disclosed
EP-0828700-A1 LIQUID CRYSTALLINE COMPOUNDS HAVING EXO-METHYLENE SITE AND LIQUID CRYSTAL COMPOSITIONS COMPRISING THE SAME CHISSO CORPORATION (JP) 1998-03-18 EP disclosed
WO-1996037451-A1 LIQUID CRYSTALLINE COMPOUNDS HAVING EXO-METHYLENE SITE AND LIQUID CRYSTAL COMPOSITIONS COMPRISING THE SAME CHISSO CORPORATION (JP) 1996-11-28 WO disclosed