SCHEMBL4330261

SCHEMBL4330261

C=C(C)C(=O)NCCCCCNC

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
MAPK1 P28482 1/20 0.48
HIF1A Q16665 1/20 0.48
PAOX Q6QHF9 3/20 0.41
ADRA1A P35348 1/20 0.39
EPHX1 P07099 7/20 0.39
ZDHHC20 Q5W0Z9 1/20 0.37
ZDHHC2 Q9UIJ5 1/20 0.37
PLA2G2A P14555 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4A O75164 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
CASP2 P42575 1/20 0.35

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
SCHEMBL4324661 1.00 KDM4E (0.48) KDM4EMAPK1HIF1APAOXADRA1A
Hydrochloric Acid SCHEMBL30637247 0.98 KDM4E (0.46) KDM4EMAPK1HIF1APAOXADRA1A
Iodide SCHEMBL30637250 0.98 KDM4E (0.46) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL109677 0.98 KDM4E (0.44) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL110483 0.94 KDM4E (0.39) KDM4EMAPK1HIF1APAOXADRA1A
Hydrochloric Acid SCHEMBL28093970 0.92 KDM4E (0.38) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL8775297 0.91 KDM4E (0.56) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL8775294 0.91 KDM4E (0.56) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL8775285 0.91 KDM4E (0.56) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL59429 0.91 KDM4E (0.56) KDM4EMAPK1HIF1APAOXADRA1A

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
WO-2021122709-A1 TEXTILE COATED WITH MALODOR REDUCING POLYMERS BASF SE (DE) 2021-06-24 WO disclosed
US-20090264551-A1 Photocurable fixture for orthopedic surgery background of the invention ALCARE CO., LTD. 2009-10-22 US disclosed