SCHEMBL9722970

SCHEMBL9722970

C=C(C)C(=O)OC.N#CC=CC(C=Cc1ccccc1)=Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 4/20 0.39
CMA1 P23946 2/20 0.39
KMT2A Q03164 2/20 0.38
LMNA P02545 2/20 0.38
ABCG2 Q9UNQ0 2/20 0.37
EGFR P00533 2/20 0.36
MMP1 P03956 2/20 0.36
MMP2 P08253 2/20 0.36
MMP9 P14780 2/20 0.36
MAOB P27338 2/20 0.36
HDAC3 O15379 2/20 0.36
HDAC4 P56524 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL5054667 0.88 GLA (0.38) GLATDP1ALDH1A1CMA1KMT2A
SCHEMBL9635100 0.88 LMNA (0.36) ALDH1A1KMT2ALMNAMAPTMEN1
SCHEMBL2339418 0.86 LMNA (0.44) ALDH1A1KMT2ALMNAHDAC3HDAC4
SCHEMBL1035894 0.85 LMNA (0.42) GLATDP1ALDH1A1CMA1KMT2A
SCHEMBL2710001 0.82 MAPT (0.42) GLATDP1ALDH1A1LMNAMMP1
SCHEMBL2334120 0.81 MAOB (0.40) GLATDP1ALDH1A1KMT2ALMNA
SCHEMBL440147 0.81 LMNA (0.44) GLATDP1ALDH1A1LMNAMAOB
Ethylene SCHEMBL28290777 0.80 LMNA (0.43) GLATDP1ALDH1A1LMNAMAOB
SCHEMBL5271816 0.79 GLA (0.38) GLATDP1ALDH1A1CMA1KMT2A
SCHEMBL9231194 0.79 ALDH1A1 (0.40) GLATDP1ALDH1A1CMA1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5080968-A Molding materials THE B. F. GOODRICH COMPANY (US) 1992-01-14 US disclosed