SCHEMBL4650959

SCHEMBL4650959

CC1=Cc2ccc(C(C)C)cc2C1C(C)C1C(C)=Cc2ccc(C(C)C)cc21

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
TRPA1 O75762 1/20 0.36
PTGS1 P23219 1/20 0.36
CACNA1C Q13936 1/20 0.36
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
ALOX12 P18054 1/20 0.32
HTT P42858 1/20 0.32
HIF1A Q16665 1/20 0.32
RNASEH1 O60930 1/20 0.30

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
SCHEMBL1453706 0.77 LMNA (0.36) LMNATRPA1PTGS1CACNA1CALDH1A1
SCHEMBL4651925 0.76 ALDH1A1 (0.34) ALDH1A1
SCHEMBL1452652 0.76 LMNA (0.35) LMNATRPA1PTGS1CACNA1CALDH1A1
SCHEMBL1452774 0.76 LMNA (0.35) LMNATRPA1PTGS1CACNA1CALDH1A1
SCHEMBL6266174 0.75 HTR2A (0.34) LMNAALDH1A1ALOX12
SCHEMBL4652087 0.75 L3MBTL1 (0.32) LMNAGAAHTT
SCHEMBL4652089 0.72 QDPR (0.35) LMNA
SCHEMBL4651188 0.71 CYP3A4 (0.35)
SCHEMBL4651917 0.69 HDAC2 (0.40) PTGS1
SCHEMBL4650927 0.69

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
EP-1971621-A1 PREPARATION OF SUBSTITUTED BRIDGED INDENYL AND RELATED LIGANDS ExxonMobil Chemical Patents Inc. (US) 2008-09-24 EP disclosed
WO-2007070045-A1 PREPARATION OF SUBSTITUTED BRIDGED INDENYL AND RELATED LIGANDS EXXONMOBIL CHEMICAL PATENTS, INC. (US) 2007-06-21 WO disclosed