SCHEMBL30953381

SCHEMBL30953381

CC1CCC([C@H](NC(=O)OC(C)(C)C)C(=O)Nc2cc(C(O)CO)ccn2)CC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 6/20 0.46
▸ LMNA P02545 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SCN9A Q15858 3/20 0.35
▸ MMP1 P03956 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ NR3C2 P08235 1/20 0.32
▸ ACACB O00763 1/20 0.32
▸ ACACA Q13085 1/20 0.32
▸ TGFBR1 P36897 1/20 0.32
▸ IDO1 P14902 1/20 0.31
▸ TYK2 P29597 1/20 0.31

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
SCHEMBL30953307 0.91 AAK1 (0.45) AAK1LMNARAB9AMMP1KDM4E
SCHEMBL27393615 0.86 AAK1 (0.48) AAK1LMNARAB9ASCN9AMMP1
SCHEMBL30953221 0.86 AAK1 (0.48) AAK1LMNARAB9ASCN9AMMP1
SCHEMBL30953440 0.85 AAK1 (0.51) AAK1LMNARAB9AMMP1KDM4E
SCHEMBL30953363 0.85 AAK1 (0.40) AAK1LMNARAB9ASCN9AMMP1
SCHEMBL30953402 0.84 AAK1 (0.60) AAK1LMNARAB9AMMP1
SCHEMBL30953339 0.83 AAK1 (0.50) AAK1LMNARAB9AMMP1KDM4E
SCHEMBL30953274 0.83 AAK1 (0.48) AAK1LMNARAB9ASCN9AMMP1
SCHEMBL30953269 0.82 AAK1 (0.48) AAK1LMNARAB9ASCN9AMMP1
SCHEMBL27393638 0.82 AAK1 (0.48) AAK1LMNARAB9ASCN9AMMP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4630115-A1 THERAPEUTIC COMPOUNDS Sanofi (FR) 2025-10-15 — — EP disclosed
WO-2024121427-A1 THERAPEUTIC COMPOUNDS SANOFI (FR) 2024-06-13 — — WO disclosed
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