SCHEMBL7740770

SCHEMBL7740770

C=C(C)CC(=NOC)C(C)=NOCc1ccccc1C(=NOC)C(=O)NC

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 8/20 0.41
PTGS2 P35354 1/20 0.35
ALDH1A1 P00352 1/20 0.31
LMNA P02545 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
SCHEMBL17381623 1.00 HIF1A (0.41) HIF1APTGS2ALDH1A1LMNA
SCHEMBL7741705 0.94 HIF1A (0.39) HIF1APTGS2
SCHEMBL12963018 0.89 HIF1A (0.44) HIF1APTGS2ALDH1A1LMNA
SCHEMBL13148667 0.88 HIF1A (0.46) HIF1APTGS2ALDH1A1LMNA
SCHEMBL12704666 0.84 HIF1A (0.44) HIF1APTGS2ALDH1A1LMNA
SCHEMBL351140 0.84 HIF1A (0.44) HIF1APTGS2ALDH1A1LMNA
SCHEMBL3163678 0.84 HIF1A (0.44) HIF1APTGS2ALDH1A1LMNA
SCHEMBL14175285 0.84 HIF1A (0.44) HIF1APTGS2ALDH1A1LMNA
SCHEMBL5076534 0.84 HIF1A (0.44) HIF1APTGS2ALDH1A1LMNA
SCHEMBL5972018 0.84 HIF1A (0.44) HIF1APTGS2ALDH1A1LMNA

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-6417388-B1 REARRANGEMENT USING BASIC OR ISOMERIZATION CATALYST BASF AKTIENGESELLSCHAFT (DE) 2002-07-09 US disclosed