SCHEMBL7664003

SCHEMBL7664003

CO/N=C(/C(=O)Cl)c1ccccc1COc1ccccc1C

nearest known ligand 0.78

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 8/20 0.49
TP53 P04637 1/20 0.45
HTT P42858 1/20 0.45
MAPT P10636 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42
RECQL P46063 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
SGMS2 Q8NHU3 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL7664008 1.00 HIF1A (0.49) HIF1ATP53HTTMAPTTDP1
SCHEMBL8618320 0.92 HIF1A (0.49) HIF1ATP53HTTMAPTTDP1
SCHEMBL8618319 0.92 HIF1A (0.49) HIF1ATP53HTTMAPTTDP1
SCHEMBL8781729 0.89 HIF1A (0.50) HIF1ATP53HTTMAPTTDP1
SCHEMBL6899784 0.89 HIF1A (0.51) HIF1ATP53HTTMAPTTDP1
SCHEMBL435570 0.89 HIF1A (0.51) HIF1ATP53HTTMAPTTDP1
SCHEMBL435569 0.89 HIF1A (0.51) HIF1ATP53HTTMAPTTDP1
SCHEMBL8618566 0.89 HIF1A (0.56) HIF1ATP53HTTRXRA
SCHEMBL8618563 0.89 HIF1A (0.56) HIF1ATP53HTTRXRA
SCHEMBL8618371 0.89 HIF1A (0.50) HIF1ATP53HTTMAPTSGMS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6407098-B1 3-(CARBOXIMINO)-1,4,2-OXATHIAZINE DERIVATIVES; PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2002-06-18 US 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
EP-0658541-A1 PROCESS FOR PRODUCING CARBOXYLIC ACID DERIVATIVE SHIONOGI & CO., LTD. (JP) 1995-06-21 EP disclosed