SCHEMBL8617439

SCHEMBL8617439

CCC(C)c1ccccc1OCc1ccccc1C(=NOC)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 8/20 0.46
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HTT P42858 2/20 0.41
TP53 P04637 1/20 0.41
NISCH Q9Y2I1 1/20 0.41
ATM Q13315 1/20 0.38

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
SCHEMBL8617436 1.00 HIF1A (0.46) HIF1AALDH1A1KDM4EL3MBTL1HTT
SCHEMBL8619537 0.90 HIF1A (0.44) HIF1AALDH1A1KDM4EL3MBTL1HTT
SCHEMBL8619540 0.90 HIF1A (0.44) HIF1AALDH1A1KDM4EL3MBTL1HTT
SCHEMBL8623999 0.90 HIF1A (0.48) HIF1AALDH1A1L3MBTL1HTTTP53
SCHEMBL8624002 0.90 HIF1A (0.48) HIF1AALDH1A1L3MBTL1HTTTP53
SCHEMBL8617393 0.88 HIF1A (0.45) HIF1AALDH1A1KDM4EL3MBTL1HTT
SCHEMBL8617396 0.88 HIF1A (0.45) HIF1AALDH1A1KDM4EL3MBTL1HTT
SCHEMBL8622450 0.85 HIF1A (0.52) HIF1AALDH1A1KDM4EL3MBTL1HTT
SCHEMBL8622454 0.85 HIF1A (0.52) HIF1AALDH1A1KDM4EL3MBTL1HTT
SCHEMBL8624127 0.82 HIF1A (0.57) HIF1AALDH1A1HTTTP53ATM

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