SCHEMBL7858873

SCHEMBL7858873

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
USP2 O75604 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPK1 P28482 1/20 0.47
CASP1 P29466 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
SLCO1B3 Q9NPD5 1/20 0.47
SLCO1B1 Q9Y6L6 1/20 0.47
NR5A1 Q13285 1/20 0.46
ACACB O00763 3/20 0.46
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
S1PR4 O95977 2/20 0.43
S1PR1 P21453 2/20 0.43
S1PR3 Q99500 2/20 0.43
S1PR5 Q9H228 1/20 0.43
TP53 P04637 2/20 0.43

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
SCHEMBL10335128 0.96 ACACB (0.49) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL8072074 0.88 ALDH1A1 (0.49) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL6142219 0.86 ACACB (0.52) MEN1LMNAMAPK1KMT2ASMN1; SMN2
SCHEMBL7859011 0.85 HSD17B10 (0.49) MEN1ALDH1A1LMNACYP3A4KMT2A
SCHEMBL9333474 0.85 MEN1 (0.61) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL7860067 0.84 ACACB (0.54) ACACB
SCHEMBL7851915 0.84 THRB (0.46) MEN1ALDH1A1LMNACYP3A4KMT2A
SCHEMBL5270853 0.82 MEN1 (0.58) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL8070952 0.82 LMNA (0.54) MEN1USP2ALDH1A1LMNACYP3A4
SCHEMBL9514290 0.82 MEN1 (0.60) MEN1USP2ALDH1A1LMNACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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