SCHEMBL7185849

SCHEMBL7185849

CCOC(=O)CCC(NC(=O)C(=Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2)cc1)C(=O)OCC)C(=O)OCC

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.49
KDM4E B2RXH2 3/20 0.49
MAPT P10636 3/20 0.49
MEN1 O00255 2/20 0.49
ALDH1A1 P00352 2/20 0.49
HSP90AA1 P07900 2/20 0.49
HPGD P15428 1/20 0.49
PRSS1 P07477 11/20 0.48
F2 P00734 4/20 0.48
KLK1 P06870 4/20 0.48
TMPRSS15 P98073 7/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.38

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
SCHEMBL7185839 1.00 KMT2A (0.49) KMT2AKDM4EMAPTMEN1ALDH1A1
SCHEMBL3243407 0.84 PRSS1 (0.54) KMT2AKDM4EMAPTMEN1ALDH1A1
SCHEMBL3245015 0.83 PRSS1 (0.53) KMT2AKDM4EMAPTMEN1ALDH1A1
SCHEMBL3238646 0.83 PRSS1 (0.53) KMT2AKDM4EMAPTMEN1ALDH1A1
SCHEMBL3238704 0.83 PRSS1 (0.56) KMT2AKDM4EMAPTMEN1ALDH1A1
SCHEMBL3238801 0.83 PRSS1 (0.53) KMT2AKDM4EMAPTMEN1ALDH1A1
SCHEMBL8846583 0.83 PRSS1 (0.49) KMT2AKDM4EMAPTMEN1ALDH1A1
Acetic Acid SCHEMBL8903078 0.82 PRSS1 (0.49) KMT2AKDM4EMAPTMEN1ALDH1A1
Acetic Acid SCHEMBL8904308 0.81 PRSS1 (0.49) KMT2AKDM4EMAPTMEN1ALDH1A1
SCHEMBL7179292 0.81 L3MBTL1 (0.48) KMT2AKDM4EMAPTALDH1A1HPGD

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-6583177-B2 Amidinophenol derivatives as leukotriene B4 (LTB4)antagonists, phospholipase A2 inhibitors, and trypsin inhibitors. ONO PHARMACEUTICAL CO., LTD. (JP) 2003-06-24 US claimed