SCHEMBL30289263

SCHEMBL30289263

O=C(NC1CCN(CCCl)CC1)OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.61
GAA P10253 1/20 0.61
CTSL P07711 1/20 0.59
CTSB P07858 1/20 0.59
CTSK P43235 1/20 0.59
TSHR P16473 1/20 0.58
TGM2 P21980 1/20 0.55
EPHX1 P07099 1/20 0.55
DPP4 P27487 2/20 0.54
KCNH2 Q12809 2/20 0.54
DPP7 Q9UHL4 2/20 0.54
SIGMAR1 Q99720 3/20 0.53
HSD11B1 P28845 1/20 0.51
CHRM4 P08173 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
HTR1A P08908 1/20 0.51
DRD2 P14416 1/20 0.51
HTR2A P28223 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL5122686 0.88 TGM2 (0.67) ALDH1A1GAACTSLCTSBCTSK
SCHEMBL7394267 0.88 TSHR (0.62) ALDH1A1GAACTSLCTSBCTSK
SCHEMBL11960651 0.85 ALDH1A1 (0.58) ALDH1A1GAACTSLCTSBCTSK
SCHEMBL30289124 0.85 ALDH1A1 (0.64) ALDH1A1GAACTSLCTSBCTSK
SCHEMBL13402357 0.84 ALDH1A1 (0.67) ALDH1A1GAACTSLCTSBCTSK
SCHEMBL5692127 0.84 CTSL (0.67) ALDH1A1GAACTSLCTSBCTSK
SCHEMBL27872787 0.83 BCHE (0.58) ALDH1A1GAACTSLCTSBCTSK
SCHEMBL5854461 0.83 ALDH1A1 (0.56) ALDH1A1GAACTSLCTSBCTSK
SCHEMBL31065853 0.83 SIGMAR1 (0.70) ALDH1A1GAACTSLCTSBCTSK
SCHEMBL27889140 0.82 SIGMAR1 (0.60) 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