SCHEMBL30289381

SCHEMBL30289381

O=C(NC1CCN(C2CCC3(CC2)OCCO3)CC1)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.53
▸ GAA P10253 1/20 0.53
▸ CTSL P07711 1/20 0.52
▸ CTSB P07858 1/20 0.52
▸ CTSK P43235 1/20 0.52
▸ TSHR P16473 1/20 0.51
▸ EPHX1 P07099 1/20 0.48
▸ DPP4 P27487 6/20 0.48
▸ DPP7 Q9UHL4 6/20 0.48
▸ KCNH2 Q12809 4/20 0.48
▸ GRIN1 Q05586 1/20 0.47
▸ GRIN2B Q13224 1/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ GPR55 Q9Y2T6 1/20 0.46
▸ HSD11B1 P28845 1/20 0.46
▸ KDM1A O60341 1/20 0.46
▸ MAOB P27338 1/20 0.46
▸ F13A1 P00488 1/20 0.45
▸ TGM2 P21980 1/20 0.45

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
SCHEMBL5264129 0.89 ALDH1A1 (0.62) ALDH1A1GAACTSLCTSBCTSK
SCHEMBL18123354 0.85 ALDH1A1 (0.58) ALDH1A1GAACTSLCTSBCTSK
SCHEMBL31628389 0.81 MEN1 (0.55) ALDH1A1GRIN1GRIN2BMEN1KMT2A
SCHEMBL3744158 0.81 CASP3 (0.45) ALDH1A1GAACTSLCTSBCTSK
SCHEMBL31334311 0.81 ALDH1A1 (0.58) ALDH1A1GAACTSLCTSBCTSK
SCHEMBL31334638 0.81 ALDH1A1 (0.58) ALDH1A1GAACTSLCTSBCTSK
SCHEMBL30289225 0.81 ALDH1A1 (0.58) ALDH1A1GAACTSLCTSBCTSK
SCHEMBL15873777 0.80 ALDH1A1 (0.60) ALDH1A1GAACTSLCTSBCTSK
SCHEMBL15873821 0.80 ALDH1A1 (0.60) ALDH1A1GAACTSLCTSBCTSK
SCHEMBL16604750 0.80 ALDH1A1 (0.63) ALDH1A1GAACTSLCTSBCTSK

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-4405359-A2 MDM2 DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2024-07-31 — — EP disclosed
WO-2023049790-A2 MDM2 DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2023-03-30 — — WO disclosed
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