SCHEMBL9547119

SCHEMBL9547119

CCOC(=N)CCN(C)C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.40
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
ALDH1A1 P00352 3/20 0.33
CYP1A2 P05177 1/20 0.33
HSD17B10 Q99714 2/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 2/20 0.31
MGAM O43451 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
SOAT1 P35610 1/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31

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
SCHEMBL4586791 0.81 CYP1A2 (0.48) ALOX15CA12CA1CA2CA9
Hydrochloric Acid SCHEMBL9547125 0.77 ALOX15 (0.36) ALOX15CA12CA1CA2CA9
SCHEMBL4093127 0.74 CYP1A2 (0.46) ALOX15CA12CA1CA2CA9
Hydrochloric Acid SCHEMBL2962208 0.71 ALOX15 (0.44) ALOX15ALDH1A1CYP1A2HSD17B10LMNA
SCHEMBL8835471 0.71 ALOX15 (0.44) ALOX15ALDH1A1CYP1A2HSD17B10LMNA
SCHEMBL14615759 0.71 LTA4H (0.32) ALOX15ALDH1A1CYP1A2HSD17B10LMNA
SCHEMBL5461393 0.70 ALOX15 (0.48) ALOX15CA12CA1CA2CA9
SCHEMBL7587252 0.70 LMNA (0.35) ALOX15ALDH1A1CYP1A2HSD17B10LMNA
Hydrochloric Acid SCHEMBL9698910 0.69 ALOX15 (0.54) ALOX15ALDH1A1CYP1A2HSD17B10LMNA
SCHEMBL7616732 0.69 PHF8 (0.43) ALDH1A1LMNA

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 1 patent. 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 disclosed