SCHEMBL23401444

SCHEMBL23401444

Cc1cc(O)n(-c2ccc(CC(=O)O)cc2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.55
KLKB1 P03952 1/20 0.51
CTSB P07858 1/20 0.51
NSD2 O96028 1/20 0.49
POLB P06746 1/20 0.49
GRK2 P25098 1/20 0.49
CASP6 P55212 1/20 0.49
CTDSP1 Q9GZU7 1/20 0.49
QPCT Q16769 1/20 0.47
MAPT P10636 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NTRK1 P04629 1/20 0.46
CA2 P00918 1/20 0.44
CAMK2A Q9UQM7 1/20 0.44
CYP2C9 P11712 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
PTGS2 P35354 1/20 0.44
GAA P10253 3/20 0.43

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
SCHEMBL27582575 0.86 KLKB1 (0.57) LMNAKLKB1CTSBQPCTMAPT
SCHEMBL12467265 0.80 GAA (0.63) POLBMAPTTDP1L3MBTL1NTRK1
SCHEMBL200831 0.78 MAPK1 (0.63) LMNAMAPTNTRK1ALDH1A1HPGD
SCHEMBL28620570 0.77 MAPK1 (0.47) LMNAPOLBMAPTTDP1L3MBTL1
SCHEMBL11441588 0.77 CYP1A2 (0.47) LMNAPOLBMAPTNTRK1CYP2C9
SCHEMBL5806384 0.75 NTRK1 (0.55) LMNAMAPTL3MBTL1NTRK1ALDH1A1
SCHEMBL30490040 0.74 MAPT (0.47) LMNAMAPTL3MBTL1NTRK1ALDH1A1
SCHEMBL11436903 0.74 MAPK1 (0.44) LMNAPOLBMAPTTDP1NTRK1
SCHEMBL10712366 0.74 CYP1A2 (0.53) LMNAPOLBMAPTL3MBTL1NTRK1
SCHEMBL10707004 0.74 POLB (0.60) LMNAPOLBMAPTNTRK1ALDH1A1

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
EP-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed