SCHEMBL7315764

SCHEMBL7315764

CCOC(=O)OC(C)OC(=O)CC1C(=O)NCC1CNC(=O)c1ccc(-c2ccc(C(=N)NC(=O)OCc3ccccc3)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MASP2 O00187 6/20 0.39
NAAA Q02083 1/20 0.38
MAPT P10636 2/20 0.34
RAB9A P51151 1/20 0.34
CTSL P07711 1/20 0.33
FAAH O00519 1/20 0.33
REN P00797 1/20 0.33
CYP3A4 P08684 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CXCR3 P49682 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CTSS P25774 1/20 0.32

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
Hydrochloric Acid SCHEMBL7311060 0.84 ITGB3 (0.36)
SCHEMBL7314657 0.76 ITGB3 (0.48) MASP2NAAAMAPTTP53CTSS
SCHEMBL9568160 0.76 YAP1 (0.41) MASP2MEN1KMT2ASMN1; SMN2
SCHEMBL9568161 0.75 BCHE (0.46) MASP2
SCHEMBL7310281 0.71 ITGB3 (0.47) MASP2NAAAMAPTCTSLCTSS
SCHEMBL7316413 0.71 ITGB3 (0.47) MASP2NAAAMAPTCTSLCTSS
SCHEMBL7305795 0.71 MASP2 (0.39) MASP2CTSS
SCHEMBL7305157 0.70 MASP2 (0.37) MASP2CTSLCTSS
SCHEMBL7303107 0.70 ITGB3 (0.46) MASP2NAAAMAPTRAB9ACTSL
SCHEMBL7311085 0.70 MASP2 (0.37) MASP2CTSLTP53CXCR3CTSS

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