SCHEMBL30992187

SCHEMBL30992187

C=Cc1ccc(C(=O)OCc2ccccc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.69
TDP1 Q9NUW8 4/20 0.69
SLC6A2 P23975 1/20 0.69
SLC6A3 Q01959 1/20 0.69
LMNA P02545 4/20 0.68
ALDH1A1 P00352 6/20 0.59
MAPT P10636 4/20 0.59
HPGD P15428 1/20 0.59
MEN1 O00255 1/20 0.54
RAB9A P51151 2/20 0.54
GAA P10253 1/20 0.54
NPC1 O15118 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
ESR1 P03372 1/20 0.50
ESR2 Q92731 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.48
CA12 O43570 1/20 0.48
AKR1B10 O60218 1/20 0.48
AKR1B1 P15121 1/20 0.48
CA4 P22748 1/20 0.48

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
SCHEMBL31401926 0.94 KMT2A (0.69) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL15292542 0.87 MAPT (0.57) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL23731591 0.87 MAPT (0.57) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL14458602 0.87 KMT2A (0.74) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL27941780 0.87 ESR1 (0.55) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL3089736 0.87 KMT2A (0.73) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL3089734 0.87 KMT2A (0.73) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL312287 0.86 KMT2A (0.92) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL380997 0.85 KMT2A (0.71) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL14586697 0.84 KMT2A (0.56) KMT2ATDP1SLC6A2SLC6A3LMNA

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-118373738-A Method for preparing gamma-aldehyde carboxylic ester by carbon dioxide 常州大学 2024-07-23 CN disclosed