SCHEMBL7305157

SCHEMBL7305157

CCOC(=O)OC(C)OC(=O)C[C@@H]1C[C@@H](COc2ccc(-c3ccc(C(=N)NC(=O)OCc4ccccc4)cc3)cc2)N(C(=O)c2ccccc2)C1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MASP2 O00187 3/20 0.37
YAP1 P46937 1/20 0.33
CTSK P43235 3/20 0.32
P2RX7 Q99572 3/20 0.32
CTSL P07711 1/20 0.32
CTSS P25774 2/20 0.32
LMNA P02545 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ABCB1 P08183 1/20 0.32
BDKRB2 P30411 1/20 0.32
ITGA4 P13612 1/20 0.32
PKM P14618 1/20 0.31
MAPK1 P28482 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
EGFR P00533 1/20 0.31
NR1D1 P20393 1/20 0.31

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
SCHEMBL7305795 0.94 MASP2 (0.39) MASP2CTSKCTSSLMNAKDM4E
SCHEMBL7311085 0.89 MASP2 (0.37) MASP2CTSKCTSLCTSSLMNA
Hydrochloric Acid SCHEMBL7311637 0.87 ITGB3 (0.38) NR1D1
SCHEMBL9568160 0.81 YAP1 (0.41) MASP2YAP1LMNAPKMMAPK1
SCHEMBL7314657 0.80 ITGB3 (0.48) MASP2CTSKCTSSLMNAL3MBTL1
SCHEMBL9568161 0.78 BCHE (0.46) MASP2
Hydrochloric Acid SCHEMBL7312430 0.78 ITGB3 (0.38)
SCHEMBL7310281 0.75 ITGB3 (0.47) MASP2CTSKCTSLCTSSL3MBTL1
SCHEMBL7316413 0.75 ITGB3 (0.47) MASP2CTSKCTSLCTSSL3MBTL1
SCHEMBL7303107 0.74 ITGB3 (0.46) MASP2CTSKCTSLCTSSL3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5576444-A ANTICOAGULANTS DR. KARL THOMAE GMBH (DE) 1996-11-19 US disclosed
EP-0567966-A1 Cyclic imino derivatives, medicaments containing these compounds and processes for the production thereof Dr. Karl Thomae GmbH (DE) 1993-11-03 EP disclosed