SCHEMBL9547184

SCHEMBL9547184

CC(=O)NCC[N+](C)(C)CCO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
MAPK1 P28482 1/20 0.44
HIF1A Q16665 1/20 0.44
TSHR P16473 1/20 0.41
ALDH1A1 P00352 1/20 0.40
DNM1 Q05193 2/20 0.39
PAOX Q6QHF9 3/20 0.38
CBLB Q13191 1/20 0.37
ADRA1A P35348 1/20 0.36
APAF1 O14727 1/20 0.36
POLB P06746 1/20 0.36
GRK2 P25098 1/20 0.36
DNMT1 P26358 1/20 0.36
PTPN7 P35236 1/20 0.36
RECQL P46063 1/20 0.36
BLM P54132 1/20 0.36
PPP1CA P62136 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
PTPN22 Q9Y2R2 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL14448326 0.91 KDM4E (0.52) KDM4EMAPK1HIF1ATSHRALDH1A1
SCHEMBL23553592 0.88 KDM4E (0.52) KDM4EMAPK1HIF1ATSHRALDH1A1
SCHEMBL16437514 0.83 KDM4E (0.44) KDM4EMAPK1HIF1ATSHRALDH1A1
SCHEMBL9547176 0.81 DNM1 (0.38) DNM1APAF1POLBGRK2DNMT1
SCHEMBL23691239 0.78 KMT2A (0.38) MAPK1TSHRALDH1A1DNM1APAF1
SCHEMBL14354960 0.77 ADRA1A (0.44) KDM4EMAPK1HIF1ATSHRALDH1A1
SCHEMBL1831846 0.77 KDM4E (0.52) KDM4EMAPK1HIF1ATSHRALDH1A1
SCHEMBL15271734 0.75 KDM4E (0.52) KDM4EMAPK1HIF1ATSHRALDH1A1
SCHEMBL15473377 0.75 KDM4E (0.50) KDM4EMAPK1HIF1ATSHRALDH1A1
Acetic Acid SCHEMBL2920415 0.74 DNM1 (0.46) DNM1APAF1POLBGRK2DNMT1

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-1993023402-A1 3-AZETIDINYLTHIO-CARBAPENEME DERIVATIVES, THEIR PREPARATION AND USE AS ANTIMICROBIAL AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-11-25 WO claimed
WO-1993023402-A1 3-AZETIDINYLTHIO-CARBAPENEME DERIVATIVES, THEIR PREPARATION AND USE AS ANTIMICROBIAL AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-11-25 WO disclosed