SCHEMBL7860058

SCHEMBL7860058

NN=Cc1ccc(NC(=O)CCC(=O)Nc2ccccc2CCCC(=O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.45
MAPT P10636 4/20 0.45
MEN1 O00255 2/20 0.45
POLB P06746 4/20 0.44
HDAC4 P56524 3/20 0.43
HDAC3 O15379 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC7 Q8WUI4 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC10 Q969S8 2/20 0.43
HDAC11 Q96DB2 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC9 Q9UKV0 2/20 0.43
HDAC5 Q9UQL6 2/20 0.43
NCOR2 Q9Y618 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 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
SCHEMBL6980785 0.82 CA12 (0.59) KMT2AMAPTMEN1POLBL3MBTL1
Hydrochloric Acid SCHEMBL27480577 0.81 POLB (0.57) KMT2AMAPTMEN1POLBL3MBTL1
Hydrochloric Acid SCHEMBL6983894 0.80 CA12 (0.57) KMT2AMAPTMEN1POLBL3MBTL1
SCHEMBL7860049 0.80 ITGB3 (0.59)
SCHEMBL6981154 0.77 KMT2A (0.43) KMT2AMAPTMEN1POLBL3MBTL1
SCHEMBL7347503 0.76 ITGB3 (0.60) KMT2AMAPTMEN1POLBHDAC4
SCHEMBL7349229 0.75 MAPT (0.38) KMT2AMAPTMEN1POLBHDAC4
SCHEMBL3081465 0.75 KMT2A (0.55) KMT2AMEN1HDAC4HDAC3HDAC1
SCHEMBL3093136 0.75 KMT2A (0.55) KMT2AMEN1HDAC4HDAC3HDAC1
SCHEMBL7344836 0.73 ITGB3 (0.51) KMT2AMAPTMEN1POLBCA12

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-0542708-B1 Substituted beta-amino acid derivatives useful as platelet aggregation inhibitors MONSANTO CO (US) 2001-05-30 EP disclosed