SCHEMBL6652330

SCHEMBL6652330

CNC(=O)/C(=N/OC)c1ccccc1CO/N=C(C)/C(=N/OC)OCC(C)C

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 8/20 0.39
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
PTGS2 P35354 1/20 0.34
P2RX4 Q99571 1/20 0.32
MEN1 O00255 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
NPY1R P25929 1/20 0.31
NPY2R P49146 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL6652334 1.00 HIF1A (0.39) HIF1AALDH1A1TSHRPTGS2P2RX4
SCHEMBL5079839 0.88 HIF1A (0.41) HIF1AALDH1A1PTGS2
SCHEMBL6652870 0.88 HIF1A (0.41) HIF1AALDH1A1PTGS2
SCHEMBL6652621 0.85 HIF1A (0.39) HIF1APTGS2
SCHEMBL13148667 0.85 HIF1A (0.46) HIF1AALDH1A1PTGS2KMT2A
SCHEMBL7503272 0.83 HIF1A (0.43) HIF1AALDH1A1TP53MAPT
SCHEMBL3163678 0.82 HIF1A (0.44) HIF1AALDH1A1PTGS2
SCHEMBL14175285 0.82 HIF1A (0.44) HIF1AALDH1A1PTGS2
SCHEMBL5972018 0.82 HIF1A (0.44) HIF1AALDH1A1PTGS2
SCHEMBL12963018 0.82 HIF1A (0.44) HIF1AALDH1A1PTGS2

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
EP-1083790-B1 RETARDING FORMULATIONS OF ACTIVE SUBSTANCES USED FOR PLANT PROTECTION BASF AG (DE) 2004-04-28 EP disclosed