SCHEMBL31536752

SCHEMBL31536752

CC(C)(C)OC(=O)N1CC(O)CO[C@H](COCc2ccccc2)C1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
THRB P10828 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KLK7 P49862 2/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
STS P08842 1/20 0.40
NAMPT P43490 1/20 0.40
RORC P51449 1/20 0.39
TACR1 P25103 2/20 0.39
PARP1 P09874 1/20 0.39
KLK5 Q9Y337 1/20 0.38
GPR119 Q8TDV5 2/20 0.38
LMNA P02545 1/20 0.38
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38
USP30 Q70CQ3 1/20 0.37
PTPN1 P18031 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
SCHEMBL31536754 1.00 GAA (0.41) GAATHRBSMN1; SMN2KLK7JAK2
SCHEMBL28712113 1.00 GAA (0.41) GAATHRBSMN1; SMN2KLK7JAK2
SCHEMBL30987030 0.92 GAA (0.41) GAATHRBSMN1; SMN2KLK7JAK2
SCHEMBL30987040 0.92 GAA (0.41) GAATHRBSMN1; SMN2KLK7JAK2
SCHEMBL30987068 0.91 JAK2 (0.47) GAATHRBSMN1; SMN2KLK7JAK2
SCHEMBL28989395 0.88 GAA (0.39) GAATHRBSMN1; SMN2KLK7JAK2
SCHEMBL31536772 0.88 GAA (0.41) GAATHRBSMN1; SMN2KLK7JAK2
SCHEMBL26782096 0.88 GAA (0.39) GAATHRBSMN1; SMN2KLK7JAK2
SCHEMBL306377 0.87 JAK2 (0.46) GAATHRBSMN1; SMN2KLK7JAK2
SCHEMBL969537 0.87 JAK2 (0.46) GAATHRBSMN1; SMN2KLK7JAK2

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-2025059526-A1 DIPEPTIDYL PEPTIDASE 1 INHIBITORS AND USES THEREOF INSMED INCORPORATED (US) 2025-03-20 WO disclosed