SCHEMBL31648383

SCHEMBL31648383

COc1ccc(C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)cc1.COc1ccc(C[C@@H]2CNCCO2)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
ALDH1A1 P00352 1/20 0.41
TP53 P04637 3/20 0.41
MMP1 P03956 2/20 0.40
MMP9 P14780 2/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTT P42858 1/20 0.40
MMP3 P08254 1/20 0.40
MMP7 P09237 1/20 0.40
EPHA2 P29317 2/20 0.40
MMP13 P45452 1/20 0.39
STS P08842 1/20 0.39
ERBB2 P04626 1/20 0.38
EPHB4 P54760 1/20 0.38
GPR119 Q8TDV5 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
DRD4 P21917 1/20 0.38

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
SCHEMBL1552953 0.91 ALDH1A1 (0.48) LMNAALDH1A1TP53MMP1MMP9
SCHEMBL1552058 0.91 ALDH1A1 (0.48) LMNAALDH1A1TP53MMP1MMP9
SCHEMBL1552451 0.81 GPR119 (0.47) LMNAALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL27715095 0.81 GPR119 (0.47) LMNAALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL1551948 0.81 USP2 (0.43) MAPTSMN1; SMN2EPHA2ERBB2EPHB4
SCHEMBL1551950 0.81 USP2 (0.43) MAPTSMN1; SMN2EPHA2ERBB2EPHB4
SCHEMBL28812575 0.80 EPHA2 (0.43) ALDH1A1MAPTSMN1; SMN2HTTEPHA2
SCHEMBL31076496 0.80 EPHA2 (0.51) SMN1; SMN2EPHA2ERBB2EPHB4
SCHEMBL28812574 0.80 EPHA2 (0.43) ALDH1A1MAPTSMN1; SMN2HTTEPHA2
SCHEMBL28812621 0.80 EPHA2 (0.43) ALDH1A1MAPTSMN1; SMN2HTTEPHA2

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-2025133334-A1 NOVEL VDAC1 INHIBITORS ABARCEO PHARMA AB (SE) 2025-06-26 WO disclosed