SCHEMBL7920181

SCHEMBL7920181

O=C(NCc1ccccc1-c1ccc(C(=O)O)cc1)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
EPHX2 P34913 2/20 0.45
FABP7 O15540 3/20 0.42
FABP5 Q01469 3/20 0.42
FABP3 P05413 1/20 0.42
MDM4 O15151 1/20 0.41
TP53 P04637 1/20 0.41
FOLH1 Q04609 1/20 0.41
CASP3 P42574 2/20 0.41
EPHX1 P07099 1/20 0.40

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
SCHEMBL28330792 0.88 KMT2A (0.49) KMT2AEPHX2FABP7FABP5FABP3
SCHEMBL1855193 0.87 EPHX2 (0.53) KMT2AEPHX2
SCHEMBL29678978 0.85 KMT2A (0.56) KMT2AEPHX2FABP7FABP5CASP3
SCHEMBL118108 0.85 KMT2A (0.56) KMT2AEPHX2FABP7FABP5CASP3
SCHEMBL29402075 0.85 KMT2A (0.56) KMT2AEPHX2FABP7FABP5CASP3
SCHEMBL2744370 0.85 KMT2A (0.48) KMT2AEPHX2FABP7FABP5FABP3
Benzoic Acid SCHEMBL27028192 0.83 KMT2A (0.56) KMT2AEPHX2FABP7FABP5CASP3
SCHEMBL30421786 0.83 KMT2A (0.56) KMT2AEPHX2FABP7FABP5MDM4
SCHEMBL119384 0.83 KMT2A (0.56) KMT2AEPHX2FABP7FABP5MDM4
SCHEMBL6421736 0.82 KMT2A (0.49) KMT2AEPHX2CASP3

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-6228985-B1 COMPOUNDS THAT INHIBIT INTERACTION OF UROKINASE-TYPE PLASMINOGEN ACTIVATOR WITH UROKINASE-TYPE PLASMINOGEN RECEPTOR; ANTITUMOR AGENTS; ANTIMETASTASIS AGENTS; ANTIARTHRITIC AGENTS FOR RHEUMATOID ARTHRITIS SCHERING CORPORATION 2001-05-08 US disclosed