SCHEMBL8395405

SCHEMBL8395405

CCNC(=O)/C(=N/OC)c1ccccc1COc1ccccc1C

nearest known ligand 0.75

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 8/20 0.48
PTGDR2 Q9Y5Y4 1/20 0.42
SGMS2 Q8NHU3 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
TP53 P04637 1/20 0.39
HTT P42858 1/20 0.39
RECQL P46063 1/20 0.39

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
SCHEMBL8395411 1.00 HIF1A (0.48) HIF1APTGDR2SGMS2KDM4EALDH1A1
SCHEMBL8395167 0.92 HIF1A (0.48) HIF1APTGDR2SGMS2ALDH1A1MAPT
SCHEMBL8395163 0.92 HIF1A (0.48) HIF1APTGDR2SGMS2ALDH1A1MAPT
SCHEMBL8398729 0.91 HIF1A (0.50) HIF1ASGMS2KDM4EALDH1A1HPGD
SCHEMBL8398720 0.91 HIF1A (0.50) HIF1ASGMS2KDM4EALDH1A1HPGD
SCHEMBL9241227 0.90 HIF1A (0.55) HIF1APTGDR2RECQL
SCHEMBL9241212 0.90 HIF1A (0.55) HIF1APTGDR2RECQL
SCHEMBL8395441 0.90 PTGDR2 (0.41) HIF1APTGDR2SGMS2ALDH1A1MAPT
SCHEMBL8395437 0.90 PTGDR2 (0.41) HIF1APTGDR2SGMS2ALDH1A1MAPT
SCHEMBL5190138 0.89 HIF1A (0.47) HIF1AALDH1A1MAPTTDP1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0644183-B1 Process of producing N-alkylacetamides SHIONOGI & CO (JP) 1999-06-02 EP disclosed
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
US-5498792-A Process of producing N-alkylacetamides SHIONOGI & CO., LTD. (JP) 1996-03-12 US disclosed
EP-0658541-A1 PROCESS FOR PRODUCING CARBOXYLIC ACID DERIVATIVE SHIONOGI & CO., LTD. (JP) 1995-06-21 EP disclosed