SCHEMBL8220795

SCHEMBL8220795

C=C(CC)CCC1CCC(CCCCC2CCC(CCC)CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.40
LMNA P02545 2/20 0.40
MAPK1 P28482 2/20 0.40
CYP1A2 P05177 2/20 0.38
PKM P14618 1/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP2C9 P11712 2/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
TP53 P04637 1/20 0.34
CCR2 P41597 1/20 0.31
LSS P48449 2/20 0.30
ALDH1A1 P00352 1/20 0.30
KDM5A P29375 1/20 0.30
KDM7A Q6ZMT4 1/20 0.30
KDM4C Q9H3R0 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
SCHEMBL8209577 0.92 LMNA (0.34) HTTLMNAMAPK1CYP1A2MAPT
SCHEMBL8218322 0.89 TLR4 (0.36) HTTLMNAMAPK1MAPTMEN1
SCHEMBL8219166 0.87 HTT (0.40) HTTLMNAMAPK1CYP1A2PKM
SCHEMBL8218343 0.84 LMNA (0.30) HTTLMNAMAPK1
SCHEMBL8218348 0.84 LMNA (0.30) HTTLMNAMAPK1
SCHEMBL10568279 0.78 CYP1A2 (0.55) HTTLMNAMAPK1CYP1A2PKM
SCHEMBL10568285 0.78 CYP1A2 (0.55) HTTLMNAMAPK1CYP1A2PKM
SCHEMBL8220227 0.76 CYP2C9 (0.52) LMNAMAPK1MAPTMEN1KMT2A
SCHEMBL10570592 0.76 CYP1A2 (0.52) HTTLMNAMAPK1CYP1A2PKM
SCHEMBL10570599 0.76 CYP1A2 (0.52) HTTLMNAMAPK1CYP1A2PKM

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