SCHEMBL4733264

SCHEMBL4733264

CCCCOOC(C(=O)O)=C(C(=O)O)c1cccc(C)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
CCNE2 O96020 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
LMNA P02545 1/20 0.40
NR1H4 Q96RI1 3/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
THRB P10828 1/20 0.39
PARP1 P09874 1/20 0.39

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
SCHEMBL4733257 1.00 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1MAPTHPGDTDP1
SCHEMBL4732201 0.86 LMNA (0.42) ALDH1A1HPGDTDP1RAB9ALMNA
SCHEMBL4732195 0.86 LMNA (0.42) ALDH1A1HPGDTDP1RAB9ALMNA
SCHEMBL4733252 0.85 CCNE2 (0.41) SMN1; SMN2ALDH1A1MAPTHPGDTDP1
SCHEMBL8160928 0.76 TDP1 (0.47) SMN1; SMN2ALDH1A1MAPTHPGDTDP1
SCHEMBL8160923 0.76 TDP1 (0.47) SMN1; SMN2ALDH1A1MAPTHPGDTDP1
SCHEMBL4015579 0.76 HPGD (0.46) SMN1; SMN2ALDH1A1HPGDTDP1RAB9A
Metacresol SCHEMBL11774925 0.74 ACHE (0.44) SMN1; SMN2ALDH1A1MAPTHPGDTDP1
SCHEMBL7723603 0.73 PARP1 (0.61) SMN1; SMN2ALDH1A1MAPTHPGDTDP1
SCHEMBL7723600 0.73 PARP1 (0.61) SMN1; SMN2ALDH1A1MAPTHPGDTDP1

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-2008057705-A1 FOAMED PLASTIC STRUCTURES NOVA CHEMICALS INC. (US) 2008-05-15 WO disclosed