SCHEMBL7277671

SCHEMBL7277671

COC(=O)C[C@@H]1C[C@@H](COc2ccc(-c3ccc(C(=N)NC(=O)OCc4ccccc4)cn3)cc2)NC1=O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.48
ITGA2B P08514 3/20 0.48
MASP2 O00187 2/20 0.35
IRAK4 Q9NWZ3 1/20 0.34
TACR3 P29371 1/20 0.33
PPARG P37231 1/20 0.33
FLT1 P17948 2/20 0.33
KDR P35968 2/20 0.33
FLT3 P36888 2/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HPGDS O60760 1/20 0.33
DGAT1 O75907 2/20 0.32
MMP13 P45452 1/20 0.32
NAAA Q02083 1/20 0.32
ROCK2 O75116 1/20 0.32
RXFP1 Q9HBX9 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
SCHEMBL7283894 0.93 ITGB3 (0.56) ITGB3ITGA2BMASP2PPARGFLT1
SCHEMBL7282413 0.92 ITGB3 (0.55) ITGB3ITGA2BMASP2IRAK4MAPT
SCHEMBL7277659 0.91 ITGB3 (0.44) ITGB3ITGA2BMASP2IRAK4PPARG
SCHEMBL7285055 0.91 ITGB3 (0.53) ITGB3ITGA2BIRAK4MAPTDGAT1
SCHEMBL7337066 0.91 ITGB3 (0.53) ITGB3ITGA2BIRAK4MAPTDGAT1
SCHEMBL7275389 0.89 ITGB3 (0.42) ITGB3ITGA2BMASP2MAPTL3MBTL1
SCHEMBL7277377 0.88 ITGB3 (0.47) ITGB3ITGA2BIRAK4RXFP1
SCHEMBL7275398 0.86 ITGB3 (0.40) ITGB3ITGA2BMASP2PPARG
SCHEMBL7278638 0.86 ITGB3 (0.50) ITGB3ITGA2BMASP2IRAK4MAPT
SCHEMBL7283682 0.86 ITGB3 (0.56) ITGB3ITGA2BMASP2IRAK4MAPT

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-5455348-A Anticoagulants Thomae, Karl (DE) 1995-10-03 US disclosed
EP-0528369-A2 Cyclic imino derivatives, pharmaceutical compositions containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1993-02-24 EP disclosed