SCHEMBL6743518

SCHEMBL6743518

CC(C(=O)O)=C(C)c1ccc(C)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
CES2 O00748 3/20 0.54
CES1 P23141 3/20 0.54
LMNA P02545 3/20 0.54
SRD5A2 P31213 2/20 0.52
HTT P42858 3/20 0.48
NPSR1 Q6W5P4 3/20 0.48
KMT2A Q03164 3/20 0.48
TDP1 Q9NUW8 3/20 0.48
PKM P14618 2/20 0.48
ATM Q13315 2/20 0.48
HPGD P15428 2/20 0.48
MEN1 O00255 2/20 0.48
NLRP1 Q9C000 1/20 0.48
GAA P10253 1/20 0.48
NTSR1 P30989 1/20 0.48
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
MAPT P10636 2/20 0.47

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
SCHEMBL20686397 0.82 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2CES2CES1LMNA
SCHEMBL367453 0.80 CES1 (0.54) ALDH1A1SMN1; SMN2CES2CES1LMNA
SCHEMBL367456 0.80 CES1 (0.54) ALDH1A1SMN1; SMN2CES2CES1LMNA
SCHEMBL1232452 0.80 CES1 (0.54) ALDH1A1SMN1; SMN2CES2CES1LMNA
SCHEMBL6500045 0.79 CES2 (0.52) ALDH1A1SMN1; SMN2CES2CES1LMNA
SCHEMBL6500044 0.79 CES2 (0.52) ALDH1A1SMN1; SMN2CES2CES1LMNA
SCHEMBL29262715 0.79 ALOX15 (0.56) ALDH1A1SMN1; SMN2CES2CES1LMNA
SCHEMBL17471445 0.77 ALDH1A1 (0.70) ALDH1A1SMN1; SMN2CES2CES1LMNA
SCHEMBL1124581 0.76 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2CES2CES1LMNA
P-Xylene SCHEMBL2595392 0.76 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2CES2CES1LMNA

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
WO-2004072736-A1 AG PASTE COMPOSITION FOR MICROELECTRODE FORMATION AND MICROELECTRODE FORMED USING THE SAME DONGJIN SEMICHEM CO. LTD. (KR) 2004-08-26 WO claimed