SCHEMBL8042758

SCHEMBL8042758

CC=CCCc1ccc(C(=O)Oc2cc(F)c(C#N)c(F)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 4/20 0.34
PRSS1 P07477 3/20 0.33
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 1/20 0.33
CCR6 P51684 1/20 0.33
HKDC1 Q2TB90 1/20 0.33
ACR P10323 1/20 0.33
PRSS2 P07478 2/20 0.33
PRSS3 P35030 2/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
FFAR1 O14842 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
ALOX12 P18054 1/20 0.32

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
SCHEMBL8042756 1.00 GPR52 (0.34) GPR52PRSS1ALDH1A1KMT2ACCR6
SCHEMBL6567224 0.88 MAOB (0.34) GPR52MAOAMAOBMAPTSMN1; SMN2
SCHEMBL6567232 0.88 MAOB (0.34) GPR52MAOAMAOBMAPTSMN1; SMN2
SCHEMBL8048275 0.87 FFAR1 (0.36) GPR52PRSS1ALDH1A1KMT2AACR
SCHEMBL13198968 0.86 KMT2A (0.34) PRSS1ALDH1A1KMT2ACCR6HKDC1
SCHEMBL6567817 0.85 PTPN1 (0.31)
SCHEMBL6567821 0.85 PTPN1 (0.31)
SCHEMBL8509611 0.84 MAPT (0.44) PRSS1ALDH1A1KMT2AACRMAPT
SCHEMBL15284565 0.83 ALDH1A1 (0.40) ALDH1A1KMT2AMAOAMAOBTP53
SCHEMBL14525759 0.82 RARB (0.42) PRSS1ALDH1A1KMT2AACRHPGD

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 15 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-0805134-B1 NOVEL LIQUID-CRYSTAL COMPOUNDS BEARING DIENYL MOIETY AND LIQUID-CRYSTAL COMPOSITION CHISSO CORP (JP) 2000-08-30 EP disclosed
US-6086964-A Liquid crystalline compound having dienyl moiety and liquid crystal composition CHISSO CORPORATION (JP) 2000-07-11 US disclosed
EP-0728829-B1 Liquid crystalline alkenylcyclohexene derivative, liquid crystal composition and liquid crystal display element CHISSO CORP (JP) 2000-05-03 EP disclosed
EP-0727473-B1 Liquid crystaline alkynyltolan compound, liquid crystal composition and liquid crystal display element CHISSO CORP (JP) 2000-01-12 EP disclosed
US-6001275-A LIQUID CRYSTALLINE COMPOUND WHICH HAS A LARGE RATIO OF ELASTIC CONSTANTS, HAS A LOW VISCOSITY, EXCELLENT MISCIBILITY WITH OTHER LIQUID CRYSTALLINE COMPOUND, CHEMICALLY STABLE; HAVING AN UNCONJUGATED ALKADIENYL GROUP AT A SIDE CHAIN. CHISSO CORPORATION (JP) 1999-12-14 US disclosed
EP-0679707-B1 Liquid crystalline compound, liquid crystal composition and liquid crystal display element CHISSO CORP (JP) 1999-06-16 EP disclosed
US-5807499-A MIXTURE CHISSO CORPORATION (JP) 1998-09-15 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
US-5698136-A LOW TEMPERATURE COMPATIBILITY, CHEMICAL STABILITY CHISSO CORPORATION (JP) 1997-12-16 US disclosed
EP-0805134-A1 NOVEL LIQUID-CRYSTAL COMPOUNDS BEARING DIENYL MOIETY AND LIQUID-CRYSTAL COMPOSITION CHISSO CORPORATION (JP) 1997-11-05 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
EP-0728829-A2 Liquid crystalline alkenylcyclohexene derivative, liquid crystal composition and liquid crystal display element CHISSO CORPORATION (JP) 1996-08-28 EP disclosed
EP-0727473-A2 Liquid crystaline alkynyltolan compound, liquid crystal composition and liquid crystal display element Chisso Corporation (JP) 1996-08-21 EP disclosed
EP-0679707-A1 Liquid crystalline compound, liquid crystal composition and liquid crystal display element Chisso Corporation (JP) 1995-11-02 EP disclosed