SCHEMBL31362264

SCHEMBL31362264

CCOC(=O)COCC[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.47
BRD4 O60885 1/20 0.35
HSD11B2 P80365 1/20 0.34
GLA P06280 2/20 0.32
HCRTR2 O43614 1/20 0.32
TSHR P16473 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
ALDH1A1 P00352 2/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
KDM4E B2RXH2 1/20 0.30
HPGD P15428 1/20 0.30
RECQL P46063 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL10211309 0.89 SPHK1 (0.51) SPHK1BRD4HSD11B2GLAHCRTR2
SCHEMBL8445237 0.88 SPHK1 (0.46) SPHK1BRD4HSD11B2GLAHCRTR2
SCHEMBL14357932 0.88 SPHK1 (0.46) SPHK1BRD4HSD11B2GLAHCRTR2
SCHEMBL31362554 0.83 SPHK1 (0.47) SPHK1BRD4HSD11B2HCRTR2
SCHEMBL16545981 0.83 SPHK1 (0.49) SPHK1BRD4HSD11B2HCRTR2KDM4E
SCHEMBL17819877 0.83 SPHK1 (0.49) SPHK1BRD4HSD11B2HCRTR2KDM4E
SCHEMBL10211186 0.83 SPHK1 (0.49) SPHK1BRD4HSD11B2HCRTR2KDM4E
SCHEMBL10211328 0.82 SPHK1 (0.54) SPHK1BRD4HSD11B2GLAHCRTR2
SCHEMBL11956427 0.82 SPHK1 (0.54) SPHK1BRD4HSD11B2GLAHCRTR2
SCHEMBL17244141 0.82 SPHK1 (0.48) SPHK1BRD4HSD11B2HCRTR2TSHR

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-2025034858-A1 FUSED PYRIDINES FOR THE TREATMENT OF CANCER AND OTHER INDICATIONS THERAS, INC. (US) 2025-02-13 WO disclosed