SCHEMBL9145386

SCHEMBL9145386

C=CCOC(=O)Nc1ccc2c(c1)CCCC2=O

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 1/20 0.59
MAPK14 Q16539 15/20 0.48
HIF1A Q16665 1/20 0.47
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
PRKCI P41743 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL2000609 0.84 BAZ2B (0.67) BAZ2BMAPK14HIF1AKMT2A
SCHEMBL6193791 0.81 BAZ2B (0.63) BAZ2BMAPK14KMT2A
SCHEMBL6212186 0.80 BAZ2B (0.57) BAZ2BMAPK14HIF1AMAOAMAOB
SCHEMBL24168430 0.79 BAZ2B (0.68) BAZ2BMAPK14HIF1AMAOAMAOB
SCHEMBL31298843 0.76 BAZ2B (0.67) BAZ2BMAPK14HIF1AMAOAMAOB
SCHEMBL6028885 0.76 BAZ2B (0.67) BAZ2BMAPK14HIF1AMAOAMAOB
SCHEMBL20085593 0.76 RAB9A (0.49) MAOAMEN1KMT2A
SCHEMBL2000310 0.76 BAZ2B (0.55) BAZ2BMEN1KMT2A
SCHEMBL7837810 0.74 BAZ2B (0.73) BAZ2BMAPK14HIF1AMAOAMAOB
SCHEMBL30612414 0.74 BAZ2B (1.00) BAZ2BMAPK14HIF1AMAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5459260-A In vivo stability TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-10-17 US disclosed
EP-0507313-A1 Polycyclic carbapenem compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-10-07 EP disclosed