SCHEMBL24457797

SCHEMBL24457797

CCN1CCN(C(=O)N[C@@H](S)c2ccccc2)C(=O)C1=O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.40
▸ ALDH1A1 P00352 4/20 0.38
▸ MAPT P10636 1/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HTT P42858 1/20 0.35
▸ CHRM1 P11229 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ IDH1 O75874 1/20 0.35

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
SCHEMBL10265114 0.87 ALDH1A1 (0.48) ALDH1A1MAPTNPC1MEN1KMT2A
SCHEMBL16808292 0.87 ALDH1A1 (0.48) ALDH1A1MAPTNPC1MEN1KMT2A
SCHEMBL16804609 0.86 DPP4 (0.39) POLBALDH1A1MAPTNPC1GAA
SCHEMBL8597022 0.86 ATM (0.42) POLBMAPTMEN1KMT2A
SCHEMBL7828421 0.86 ATM (0.42) POLBMAPTMEN1KMT2A
Water SCHEMBL8600954 0.85 ATM (0.42) POLBMAPTMEN1KMT2A
SCHEMBL10205157 0.85 KMT2A (0.49) POLBALDH1A1MAPTNPC1KMT2A
SCHEMBL8600205 0.84 POLB (0.40) POLBALDH1A1MAPTNPC1GAA
SCHEMBL8626971 0.84 POLB (0.38) POLBALDH1A1MAPTNPC1GAA
SCHEMBL10372875 0.84 GPR88 (0.39) POLBALDH1A1MAPTMEN1CNR1

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-2022106630-A1 STABLE FORMULATIONS COMPRISING PIPERACILLIN AND/OR TAZOBACTAM XELLIA PHARMACEUTICALS APS (DK) 2022-05-27 — — WO disclosed
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