SCHEMBL5145142

SCHEMBL5145142

CCCCCOC(=O)C(C#N)=C(c1ccccc1)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.66
ALDH1A1 P00352 4/20 0.66
MAPK1 P28482 2/20 0.66
TSHR P16473 3/20 0.48
TP53 P04637 1/20 0.48
CYP3A4 P08684 1/20 0.48
TDP1 Q9NUW8 2/20 0.45
CNR2 P34972 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PPARG P37231 3/20 0.41
HPGD P15428 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL5331475 0.99 ALDH1A1 (0.65) LMNAALDH1A1MAPK1TSHRTP53
SCHEMBL7205837 0.99 ALDH1A1 (0.65) LMNAALDH1A1MAPK1TSHRTP53
SCHEMBL14877495 0.99 ALDH1A1 (0.65) LMNAALDH1A1MAPK1TSHRTP53
SCHEMBL1123572 0.99 ALDH1A1 (0.65) LMNAALDH1A1MAPK1TSHRTP53
SCHEMBL502564 0.96 LMNA (0.67) LMNAALDH1A1MAPK1TSHRTP53
SCHEMBL15797630 0.91 LMNA (0.57) LMNAALDH1A1MAPK1TSHRTDP1
SCHEMBL6344467 0.91 ALDH1A1 (0.56) LMNAALDH1A1MAPK1TSHRTP53
SCHEMBL13236533 0.91 ALDH1A1 (0.56) LMNAALDH1A1MAPK1TSHRTP53
SCHEMBL6344463 0.91 ALDH1A1 (0.56) LMNAALDH1A1MAPK1TSHRTP53
Etocrylene SCHEMBL9180144 0.90 ALDH1A1 (0.67) LMNAALDH1A1MAPK1TP53L3MBTL1

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
JP-2008184463-A SYNTHESIS OF NEW ULTRAVIOLET LIGHT ABSORBER BY DEHYDROCHLORINATING CONDENSATION BETWEEN 2-CYANO-3,3-DIPHENYLACRYLOYL CHLORIDE AND HYDROXY GROUP-CONTAINING SEVERAL KINDS OF COMPOUNDS SHIPRO KASEI KAISHA LTD 2008-08-14 JP disclosed