SCHEMBL7996733

SCHEMBL7996733

O=C(COc1ccc2ccccc2c1C(=O)O)c1ccc(-c2ccc(Cl)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 2/20 0.49
MAPT P10636 5/20 0.49
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CTSD P07339 1/20 0.45
HPGD P15428 3/20 0.43
L3MBTL1 Q9Y468 3/20 0.42
LMNA P02545 2/20 0.42
TDP1 Q9NUW8 3/20 0.42
TRPM4 Q8TD43 1/20 0.42
POLB P06746 1/20 0.41
G6PD P11413 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL7487118 0.87 MMP3 (0.65) MMP3MAPTKMT2AMEN1NPC1
SCHEMBL7991703 0.83 MMP3 (0.43) MMP3MAPTKMT2AMEN1NPC1
SCHEMBL11646131 0.79 MAPT (0.62) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL6562825 0.78 ALDH1A1 (0.66) MAPTKMT2AMEN1RAB9ASMN1; SMN2
SCHEMBL7990560 0.77 MMP3 (0.79) MMP3KMT2AMEN1NPC1RAB9A
SCHEMBL7990117 0.75 MMP3 (0.61) MMP3KMT2AMEN1NPC1RAB9A
SCHEMBL7990113 0.75 MMP3 (0.61) MMP3KMT2AMEN1NPC1RAB9A
SCHEMBL5404802 0.74 ALDH1A1 (0.52) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL10935027 0.74 ALDH1A1 (0.52) MMP3KMT2AMEN1RAB9ACTSD
SCHEMBL27628199 0.74 MAPT (0.73) MAPTKMT2AMEN1NPC1RAB9A

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
US-6288261-B1 DRUGS FOR INHIBITION OF ENZYMES ABBOTT LABORATORIES 2001-09-11 US disclosed