SCHEMBL9190372

SCHEMBL9190372

CC(C)C(NC(=N)N)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 3/20 0.43
CA2 P00918 4/20 0.41
CA1 P00915 3/20 0.41
GAA P10253 2/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
PLA2G2A P14555 1/20 0.41
PLA2G5 P39877 1/20 0.41
FPR2 P25090 1/20 0.40
NPSR1 Q6W5P4 3/20 0.39
MAPT P10636 1/20 0.39
SLC7A5 Q01650 1/20 0.37
MAPK1 P28482 1/20 0.37
POLB P06746 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL9190374 1.00 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1CA2CA1GAA
SCHEMBL3286142 0.81 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1CA2CA1GAA
SCHEMBL6333157 0.81 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1CA2CA1GAA
SCHEMBL4318209 0.81 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1CA2CA1GAA
SCHEMBL9688834 0.79 ALDH1A1 (0.59) ALDH1A1CA2CA1FPR2MAPK1
SCHEMBL9688830 0.79 ALDH1A1 (0.59) ALDH1A1CA2CA1FPR2MAPK1
SCHEMBL28470269 0.78 SLC7A5 (0.34) SMN1; SMN2ALDH1A1CA2CA1GAA
SCHEMBL30533386 0.78 SLC7A5 (0.34) SMN1; SMN2ALDH1A1CA2CA1GAA
SCHEMBL15328461 0.77 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1CA2CA1GAA
SCHEMBL33799 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4214221-A1 ANTIMICROBIAL PEPTIDOMIMETICS Spexis AG (CH) 2023-07-26 EP disclosed
EP-4214220-A1 ANTIMICROBIAL PEPTIDOMIMETICS Spexis AG (CH) 2023-07-26 EP disclosed
EP-0674652-A1 DOLOSTATIN ANALOG BASF AKTIENGESELLSCHAFT (DE) 1995-10-04 EP disclosed
WO-1994013695-A1 DOLOSTATIN ANALOG BASF AKTIENGESELLSCHAFT (DE) 1994-06-23 WO disclosed