SCHEMBL7861928

SCHEMBL7861928

C=CCCc1ccc(C#Cc2ccc(C)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 10/20 0.53
CYP1A2 P05177 1/20 0.41
CYP2A6 P11509 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
GRM5 P41594 2/20 0.40
ACACB O00763 1/20 0.40
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
KCNH2 Q12809 1/20 0.38
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
MITF O75030 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
FFAR4 Q5NUL3 2/20 0.36
CHRM2 P08172 1/20 0.36

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
SCHEMBL7858804 0.95 FFAR1 (0.49) FFAR1CYP1A2CYP2A6TAAR1GRM5
SCHEMBL6142146 0.95 FFAR1 (0.49) FFAR1CYP1A2CYP2A6TAAR1GRM5
SCHEMBL29637029 0.90 FFAR1 (0.41) FFAR1FFAR4CHRM2S1PR1FPR1
SCHEMBL2132364 0.88 CYP1A2 (0.50) FFAR1CYP1A2CYP2A6TAAR1KCNH2
SCHEMBL6141754 0.87 FFAR1 (0.42) FFAR1ACACBMEN1NPC1MITF
SCHEMBL7860167 0.85 ACACB (0.44) FFAR1ACACBCA2FFAR4
SCHEMBL30784939 0.83 FFAR1 (0.53) FFAR1FFAR4CHRM2S1PR1FPR1
SCHEMBL19864925 0.82 CYP1A2 (0.45) CYP1A2CYP2A6TAAR1KCNH2NPC1
SCHEMBL7851915 0.82 THRB (0.46) FFAR1CA1CA2MEN1LMNA
SCHEMBL6142110 0.82 FFAR1 (0.39) FFAR1CYP1A2CYP2A6TAAR1ACACB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-9227417-A None JP disclosed
US-6333080-B1 HIGH ANISOTROPY, HIGH ELASTIC CONSTANT RATIO, EXCELLENT COMPARABILITY WITH OTHER LIQUID-CRYSTAL COMPOUNDS, AND LOW VISCOSITY AND ARE CHEMICALLY AND PHYSICALLY STABLE CHISSO CORPORATION (JP) 2001-12-25 US disclosed
EP-0930286-A1 LIQUID-CRYSTAL ALKENYLTOLAN DERIVATIVE, LIQUID-CRYSTAL COMPOSITION, AND LIQUID-CRYSTAL DISPLAY ELEMENT CHISSO CORPORATION (JP) 1999-07-21 EP disclosed
JP-H09227417-A ALKENYLTOLAN DERIVATIVE AND ITS PRODUCTION DAINIPPON INK & CHEM INC 1997-09-02 JP disclosed