SCHEMBL27719682

SCHEMBL27719682

CC(=CC(=O)O)c1ccccc1.[NaH]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.58
NR4A1 P22736 1/20 0.58
NR4A3 Q92570 1/20 0.58
DEGS1 O15121 1/20 0.51
TBXAS1 P24557 2/20 0.49
CES2 O00748 3/20 0.48
CES1 P23141 3/20 0.48
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
HPGD P15428 1/20 0.45
NFE2L2 Q16236 1/20 0.45
HTT P42858 1/20 0.44
ALDH1A1 P00352 2/20 0.44
TSHR P16473 2/20 0.44
DAO P14920 1/20 0.44
NAPRT Q6XQN6 1/20 0.44
RXRA P19793 1/20 0.44

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
SCHEMBL1536443 0.98 NR4A2 (0.60) NR4A2NR4A1NR4A3DEGS1TBXAS1
SCHEMBL582234 0.98 NR4A2 (0.60) NR4A2NR4A1NR4A3DEGS1TBXAS1
SCHEMBL691911 0.98 NR4A2 (0.60) NR4A2NR4A1NR4A3DEGS1TBXAS1
Ammonia Solution, Strong SCHEMBL6327043 0.95 NR4A2 (0.58) NR4A2NR4A1NR4A3DEGS1TBXAS1
Hydrochloric Acid SCHEMBL11760666 0.95 NR4A2 (0.58) NR4A2NR4A1NR4A3DEGS1TBXAS1
Acetic Acid SCHEMBL6897120 0.95 NR4A2 (0.58) NR4A2NR4A1NR4A3DEGS1TBXAS1
SCHEMBL11243246 0.85 SMN1; SMN2 (0.61) NR4A2NR4A1NR4A3TBXAS1SMN1; SMN2
SCHEMBL11243242 0.85 SMN1; SMN2 (0.61) NR4A2NR4A1NR4A3TBXAS1SMN1; SMN2
SCHEMBL566350 0.84 DEGS1 (0.53) NR4A2NR4A1NR4A3DEGS1CES2
SCHEMBL566351 0.84 DEGS1 (0.53) NR4A2NR4A1NR4A3DEGS1CES2

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
CN-101270041-A Catalytic oxidation method of preparing a-methyl cinnamic acid WUHAN HEZHONG BIO CHEMICAL MAN (CN) 2008-09-24 CN disclosed