SCHEMBL30877974

SCHEMBL30877974

C#C[C@H](CCSC)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cc2ccccc2[nH]1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PYGL P06737 5/20 0.58
CTSL P07711 1/20 0.51
CTSS P25774 1/20 0.51
CCKAR P32238 1/20 0.51
CCKBR P32239 1/20 0.51
CYP51A1 Q16850 1/20 0.51
PTGER4 P35408 1/20 0.51
MMP3 P08254 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
SCHEMBL27278662 1.00 PYGL (0.58) PYGLCTSLCTSSCCKARCCKBR
SCHEMBL27278567 0.90 PYGL (0.61) PYGLCTSLCTSSCCKARCCKBR
SCHEMBL30877973 0.90 PYGL (0.61) PYGLCTSLCTSSCCKARCCKBR
SCHEMBL27278653 0.88 PYGL (0.59) PYGLCTSLCTSSCCKARCCKBR
SCHEMBL30877969 0.88 PYGL (0.59) PYGLCTSLCTSSCCKARCCKBR
SCHEMBL27278763 0.86 PYGL (0.57) PYGLCTSLCTSSCCKARCCKBR
SCHEMBL27278780 0.86 PYGL (0.57) PYGLCTSLCTSSCCKARCCKBR
SCHEMBL30877955 0.86 PYGL (0.56) PYGLCTSLCTSSCCKARCCKBR
SCHEMBL27278554 0.86 PYGL (0.56) PYGLCTSLCTSSCCKARCCKBR
SCHEMBL27278660 0.84 F2R (0.53) CTSLCTSSCCKBR

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-2024089159-A1 MAIN PROTEASE INHIBITORS UBIQ HOLDING B.V. (NL) 2024-05-02 WO disclosed