SCHEMBL31752274

SCHEMBL31752274

COc1ncnc(OC[C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)c1Br

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.38
HSD11B2 P80365 1/20 0.36
BRD4 O60885 1/20 0.34
EPHA2 P29317 2/20 0.33
PIK3CD O00329 6/20 0.32
GPR119 Q8TDV5 4/20 0.32
PIK3CA P42336 2/20 0.30
PIK3CB P42338 2/20 0.30
PIK3CG P48736 2/20 0.30
RORC P51449 2/20 0.30
JAK1 P23458 1/20 0.30
KCNH2 Q12809 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
SCHEMBL31751371 0.95 HSD11B2 (0.35) SPHK1HSD11B2BRD4EPHA2PIK3CD
SCHEMBL31751249 0.80 HSD11B2 (0.35) SPHK1HSD11B2BRD4
SCHEMBL24613291 0.78 SPHK1 (0.43) SPHK1HSD11B2BRD4GPR119RORC
SCHEMBL26964224 0.78 SPHK1 (0.43) SPHK1HSD11B2BRD4GPR119RORC
SCHEMBL15209132 0.77 SPHK1 (0.48) SPHK1HSD11B2BRD4
SCHEMBL15209134 0.77 SPHK1 (0.48) SPHK1HSD11B2BRD4
SCHEMBL8945204 0.76 HTR2C (0.38) SPHK1HSD11B2BRD4
SCHEMBL8945093 0.76 FAAH (0.41) SPHK1HSD11B2BRD4EPHA2
SCHEMBL19357528 0.76 SPHK1 (0.44) SPHK1HSD11B2BRD4GPR119
SCHEMBL3612721 0.76 SPHK1 (0.44) SPHK1HSD11B2BRD4GPR119

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-2025264954-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS ALEXION PHARMACEUTICALS, INC. (US) 2025-12-26 WO disclosed