SCHEMBL31292033

SCHEMBL31292033

CC(C)(C)N1CCC(N(C(=O)O)C(C)(C)C)C1=O.CC(C)(C)N1CCC(N)C1=O

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ APEX1 P27695 1/20 0.36
▸ DPP4 P27487 3/20 0.33
▸ POLB P06746 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
SCHEMBL23309895 0.92 POLB (0.36) POLB
SCHEMBL13593671 0.79 CYP3A4 (0.48) CYP3A4TSHRTDP1MAPTAPEX1
SCHEMBL13164136 0.79 CYP3A4 (0.48) CYP3A4TSHRTDP1MAPTAPEX1
SCHEMBL24310396 0.79 CYP3A4 (0.48) CYP3A4TSHRTDP1MAPTAPEX1
Hydrochloric Acid SCHEMBL18766055 0.77 MAPT (0.47) CYP3A4TSHRTDP1MAPTAPEX1
SCHEMBL31292024 0.76 CYP3A4 (0.32) CYP3A4TSHRTDP1MAPTAPEX1
SCHEMBL31291944 0.72 SSTR4 (0.31) —
SCHEMBL15855776 0.71 NR1I2 (0.39) —
SCHEMBL1190098 0.70 NR1I2 (0.36) —
SCHEMBL24310391 0.69 POLB (0.31) POLB

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-2025030117-A1 FERROPTOSIS INDUCERS ARPEGGIO BIOSCIENCES, INC. (US) 2025-02-06 — — WO disclosed
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