SCHEMBL4733252

SCHEMBL4733252

CCCCOO/C(C(=O)O)=C(\C(=O)O)C(=O)c1cccc(C)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
LMNA P02545 1/20 0.38
NR1H4 Q96RI1 3/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
THRB P10828 1/20 0.38
PARP1 P09874 1/20 0.37

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
SCHEMBL4733264 0.85 SMN1; SMN2 (0.41) CCNE2CCNE1CDK2SMN1; SMN2ALDH1A1
SCHEMBL4733257 0.85 SMN1; SMN2 (0.41) CCNE2CCNE1CDK2SMN1; SMN2ALDH1A1
SCHEMBL5007686 0.77 TDP1 (0.45) SMN1; SMN2ALDH1A1MAPTHPGDTDP1
SCHEMBL5007690 0.77 TDP1 (0.45) SMN1; SMN2ALDH1A1MAPTHPGDTDP1
SCHEMBL4015579 0.74 HPGD (0.46) SMN1; SMN2ALDH1A1HPGDTDP1RAB9A
SCHEMBL4732201 0.73 LMNA (0.42) ALDH1A1HPGDTDP1RAB9ALMNA
SCHEMBL4732195 0.73 LMNA (0.42) ALDH1A1HPGDTDP1RAB9ALMNA
SCHEMBL4733227 0.73 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1MAPTTDP1RAB9A
SCHEMBL5001576 0.73 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1MAPTTDP1RAB9A
Metacresol SCHEMBL11774925 0.72 ACHE (0.44) 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