SCHEMBL31536772

SCHEMBL31536772

CSC1CO[C@H](COCc2ccccc2)CN(C(=O)OC(C)(C)C)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 3/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
LMNA P02545 1/20 0.39
STS P08842 1/20 0.39
NAMPT P43490 1/20 0.39
RORC P51449 1/20 0.38
TACR1 P25103 2/20 0.38
PARP1 P09874 1/20 0.38
KLK5 Q9Y337 2/20 0.37
GPR119 Q8TDV5 2/20 0.37
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.36
USP30 Q70CQ3 1/20 0.36
PTPN1 P18031 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
SCHEMBL28712113 0.88 GAA (0.41) GAATHRBSMN1; SMN2KLK7JAK2
SCHEMBL31536754 0.88 GAA (0.41) GAATHRBSMN1; SMN2KLK7JAK2
SCHEMBL31536752 0.88 GAA (0.41) GAATHRBSMN1; SMN2KLK7JAK2
SCHEMBL26782096 0.86 GAA (0.39) GAATHRBSMN1; SMN2KLK7JAK2
SCHEMBL28989395 0.86 GAA (0.39) GAATHRBSMN1; SMN2KLK7JAK2
SCHEMBL28712137 0.84 GAA (0.39) GAATHRBSMN1; SMN2KLK7JAK2
SCHEMBL29579403 0.84 KLK7 (0.40) GAATHRBSMN1; SMN2KLK7JAK2
SCHEMBL29579552 0.83 GAA (0.38) GAATHRBSMN1; SMN2KLK7JAK2
SCHEMBL31536782 0.83 GAA (0.38) GAATHRBSMN1; SMN2KLK7JAK2
SCHEMBL29579997 0.83 RORC (0.40) 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