SCHEMBL5536894

SCHEMBL5536894

O=C(O)CC=COc1cccs1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAM P19021 1/20 0.41
PLA2G7 Q13093 1/20 0.38
DAO P14920 1/20 0.36
ALDH1A1 P00352 5/20 0.35
CYP2D6 P10635 1/20 0.35
ALOX15 P16050 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
CYP2C19 P33261 1/20 0.35
HPGD P15428 3/20 0.35
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP12 P39900 1/20 0.35
POLB P06746 3/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
NPC1 O15118 2/20 0.34
LMNA P02545 1/20 0.34
RAB9A P51151 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL5307929 0.70 HCAR2 (0.59) PAMPLA2G7ALDH1A1HCAR2HPGD
SCHEMBL5307934 0.70 HCAR2 (0.59) PAMPLA2G7ALDH1A1HCAR2HPGD
SCHEMBL341114 0.69 ALOX15 (0.50) DAOALDH1A1ALOX15CYP2C19HPGD
SCHEMBL7270484 0.69 CYP2C19 (0.49) PAMDAOALDH1A1CYP2D6ALOX15
SCHEMBL4622035 0.69
SCHEMBL449835 0.68
SCHEMBL1418443 0.67 LMNA (0.50) DAOALDH1A1CYP2C19HPGDMMP2
SCHEMBL2971231 0.67 MMP1 (0.44) DAOALDH1A1CYP2C19HPGDMMP1
SCHEMBL20912441 0.67 NPC1 (0.52) DAOALDH1A1HPGDPOLBMEN1
SCHEMBL11186389 0.67 HCAR2 (0.54) PAMALDH1A1HCAR2HPGDMEN1

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-20070231604-A1 Electroconductive Composition and Application Thereof SHOWA DENKO K.K. (JP) 2007-10-04 US disclosed