SCHEMBL6142064

SCHEMBL6142064

C=CCC[C@H]1CC[C@H](C(=O)Oc2ccc(C#Cc3ccc(Cl)cc3)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
F2 P00734 1/20 0.39
LSS P48449 2/20 0.39
ELANE P08246 2/20 0.38
MEN1 O00255 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HPGD P15428 2/20 0.36
ACACB O00763 5/20 0.35
HAO1 Q9UJM8 1/20 0.34
MCHR1 Q99705 1/20 0.34
ATF4 P18848 2/20 0.34
POLB P06746 1/20 0.33

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
SCHEMBL9253545 0.93 KMT2A (0.46) KMT2ASMN1; SMN2HTTTDP1F2
SCHEMBL9253541 0.93 KMT2A (0.46) KMT2ASMN1; SMN2HTTTDP1F2
SCHEMBL9256835 0.90 KMT2A (0.43) KMT2ASMN1; SMN2HTTTDP1F2
SCHEMBL9256841 0.90 KMT2A (0.43) KMT2ASMN1; SMN2HTTTDP1F2
SCHEMBL9256839 0.90 KMT2A (0.43) KMT2ASMN1; SMN2HTTTDP1F2
SCHEMBL6142131 0.89 POLB (0.43) KMT2ASMN1; SMN2HTTTDP1F2
SCHEMBL6141852 0.89 KMT2A (0.40) KMT2ASMN1; SMN2HTTTDP1F2
SCHEMBL6142072 0.88 ACACB (0.47) KMT2ASMN1; SMN2HTTTDP1F2
SCHEMBL6141772 0.87 HTT (0.39) KMT2ASMN1; SMN2HTTTDP1F2
SCHEMBL6142163 0.87 LSS (0.44) KMT2ASMN1; SMN2HTTTDP1F2

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
EP-0930286-B1 LIQUID-CRYSTAL ALKENYLTOLAN DERIVATIVE, LIQUID-CRYSTAL COMPOSITION, AND LIQUID-CRYSTAL DISPLAY ELEMENT CHISSO CORP (JP) 2005-01-12 EP 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