SCHEMBL8219166

SCHEMBL8219166

C=C(CC)CCC1CCC(C2CCC(CCCCC)CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
PKM P14618 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
CYP1A2 P05177 3/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 2/20 0.36
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
LSS P48449 2/20 0.34
CCR2 P41597 1/20 0.34
EPHX1 P07099 1/20 0.32
GNAI3 P08754 1/20 0.31
GNAO1 P09471 1/20 0.31
GNAI1 P63096 1/20 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
SCHEMBL8220795 0.87 HTT (0.40) HTTLMNAMAPK1PKMMEN1
SCHEMBL8218322 0.87 TLR4 (0.36) HTTLMNAMAPK1MEN1KMT2A
SCHEMBL8209166 0.84 CYP1A2 (0.39) HTTLMNAMAPK1PKMMEN1
SCHEMBL19722137 0.84 PKM (0.37) HTTLMNAMAPK1PKMMEN1
SCHEMBL8215814 0.81 CYP1A2 (0.37) HTTLMNAMAPK1PKMMEN1
SCHEMBL8221950 0.81 CYP1A2 (0.43) HTTLMNAMAPK1PKMMEN1
SCHEMBL10707112 0.81 CYP1A2 (0.54) HTTLMNAMAPK1PKMMEN1
SCHEMBL10346759 0.81 CYP1A2 (0.54) HTTLMNAMAPK1PKMMEN1
SCHEMBL10346757 0.81 CYP1A2 (0.54) HTTLMNAMAPK1PKMMEN1
SCHEMBL12154875 0.81 HTT (0.45) HTTLMNAMAPK1PKMMEN1

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