SCHEMBL6141844

SCHEMBL6141844

C=CCC[C@H]1CC[C@H](c2ccc(-c3ccc(C#Cc4ccc(OCCC)cc4)cc3)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACACB O00763 10/20 0.41
MCHR1 Q99705 1/20 0.37
RAB9A P51151 2/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
MAPT P10636 2/20 0.35
CYP2C9 P11712 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HRH3 Q9Y5N1 2/20 0.35
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL6141755 0.97 ACACB (0.43) ACACBRAB9AMAOAMAOBMAPT
SCHEMBL6141720 0.95 ACACB (0.43) ACACBRAB9AMAOAMAOBMAPT
SCHEMBL6142056 0.93 ACACB (0.41) ACACBRAB9AMAOAMAOBMAPT
SCHEMBL6142059 0.91 ACACB (0.39) ACACBMCHR1RAB9AMAOAMAOB
SCHEMBL9512297 0.88 ACACB (0.46) ACACBMCHR1RAB9AMAOAMAOB
SCHEMBL6141690 0.87 ACACB (0.41) ACACBMAOAMAOBMAPTCYP2C9
SCHEMBL6141717 0.87 ACACB (0.46) ACACBMCHR1
SCHEMBL9512264 0.86 ACACB (0.44) ACACBMCHR1RAB9AMAOAMAOB
SCHEMBL6142074 0.86 ACACB (0.41) ACACBMAOAMAOBMAPTCYP2C9
SCHEMBL9510031 0.85 ACACB (0.44) ACACBMCHR1RAB9AMAOAMAOB

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