SCHEMBL6142170

SCHEMBL6142170

C=CCC[C@H]1CC[C@H]([C@H]2CC[C@H](c3ccc(C#Cc4ccc(OCC)cc4)cc3)CC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACACB O00763 13/20 0.39
ALDH1A1 P00352 1/20 0.35
CYP2C9 P11712 1/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
DGAT1 O75907 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL6141690 0.96 ACACB (0.41) ACACBALDH1A1CYP2C9MAOAMAOB
SCHEMBL6142074 0.95 ACACB (0.41) ACACBALDH1A1CYP2C9MAOAMAOB
SCHEMBL19850842 0.94 CYP2C9 (0.37) ALDH1A1CYP2C9MAOAMAOBDGAT1
SCHEMBL6142059 0.93 ACACB (0.39) ACACBALDH1A1CYP2C9MAOAMAOB
SCHEMBL6142056 0.91 ACACB (0.41) ACACBALDH1A1CYP2C9MAOAMAOB
SCHEMBL6141755 0.87 ACACB (0.43) ACACBALDH1A1CYP2C9MAOAMAOB
SCHEMBL6141720 0.86 ACACB (0.43) ACACBALDH1A1CYP2C9MAOAMAOB
SCHEMBL6141684 0.85 FFAR1 (0.37) ALDH1A1CYP2C9MEN1KMT2A
SCHEMBL6142243 0.85 ACACB (0.33) ACACBMAOBMEN1KMT2A
SCHEMBL6141844 0.84 ACACB (0.41) ACACBALDH1A1CYP2C9MAOAMAOB

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