SCHEMBL8619246

SCHEMBL8619246

CCC(C)(C)c1ccc(OCc2ccccc2OC(=O)C(C)=NOC)cc1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 3/20 0.39
MAOB P27338 4/20 0.39
MAOA P21397 2/20 0.39
TDP1 Q9NUW8 1/20 0.38
HRH3 Q9Y5N1 10/20 0.37

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
SCHEMBL8623908 0.85 HIF1A (0.46) HIF1AMAOBMAOA
SCHEMBL8621428 0.84 MAPT (0.45) HIF1AMAOBMAOA
SCHEMBL8622457 0.81 L3MBTL1 (0.40) HIF1A
SCHEMBL8621226 0.79 L3MBTL1 (0.46) HIF1AMAOBTDP1
SCHEMBL8620428 0.79 HIF1A (0.42) HIF1AMAOB
SCHEMBL8620420 0.78 HIF1A (0.44) HIF1ATDP1
SCHEMBL8622766 0.78 HIF1A (0.52) HIF1AMAOB
SCHEMBL8622276 0.78 PPARD (0.43) HIF1A
SCHEMBL8617222 0.77 CDK4 (0.44) MAOBTDP1
SCHEMBL8621319 0.77 HIF1A (0.48) HIF1AMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0658541-B1 PROCESS FOR PRODUCING CARBOXYLIC ACID DERIVATIVE SHIONOGI & CO (JP) 1998-05-20 EP disclosed
US-5510506-A Process for producing carboxylic acid derivatives SHIONOGI & CO., LTD. (JP) 1996-04-23 US disclosed
EP-0658541-A1 PROCESS FOR PRODUCING CARBOXYLIC ACID DERIVATIVE SHIONOGI & CO., LTD. (JP) 1995-06-21 EP disclosed