SCHEMBL31751371

SCHEMBL31751371

CC(C)(C)OC(=O)N1[C@@H](COc2ncnc(O)c2Br)COC1(C)C.COc1ncnc(OC[C@@H]2COC(C)(C)N2C(=O)OC(C)(C)C)c1Br

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSD11B2 P80365 1/20 0.35
SPHK1 Q9NYA1 1/20 0.35
BRD4 O60885 1/20 0.32
EPHA2 P29317 1/20 0.31
PIK3CD O00329 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
SCHEMBL31752274 0.95 SPHK1 (0.38) HSD11B2SPHK1BRD4EPHA2PIK3CD
SCHEMBL31751249 0.76 HSD11B2 (0.35) HSD11B2SPHK1BRD4
SCHEMBL24613291 0.74 SPHK1 (0.43) HSD11B2SPHK1BRD4
SCHEMBL26964224 0.74 SPHK1 (0.43) HSD11B2SPHK1BRD4
SCHEMBL15209132 0.73 SPHK1 (0.48) HSD11B2SPHK1BRD4
SCHEMBL15209134 0.73 SPHK1 (0.48) HSD11B2SPHK1BRD4
SCHEMBL8945204 0.73 HTR2C (0.38) HSD11B2SPHK1BRD4
SCHEMBL8945093 0.72 FAAH (0.41) HSD11B2SPHK1BRD4EPHA2
SCHEMBL19357528 0.72 SPHK1 (0.44) HSD11B2SPHK1BRD4
SCHEMBL3612721 0.72 SPHK1 (0.44) HSD11B2SPHK1BRD4

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