SCHEMBL26081194

SCHEMBL26081194

CC(C)[C@H](NC(=O)CCCCOCCOCCOCCN1C(=O)C=CC1=O)C(=O)N[C@@H](CCCNC(N)=O)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ C3AR1 Q16581 1/20 0.40
▸ GLP1R P43220 8/20 0.37
▸ FAP Q12884 3/20 0.36
▸ POLB P06746 1/20 0.36
▸ CTDSP1 Q9GZU7 1/20 0.35
▸ FURIN P09958 4/20 0.35
▸ FNTA P49354 1/20 0.34
▸ FNTB P49356 1/20 0.34
▸ PGGT1B P53609 1/20 0.34
▸ MGLL Q99685 1/20 0.34

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
SCHEMBL26081500 1.00 C3AR1 (0.40) C3AR1GLP1RFAPPOLBCTDSP1
SCHEMBL16870158 0.95 C3AR1 (0.41) C3AR1GLP1RFAPPOLBCTDSP1
SCHEMBL16862595 0.95 C3AR1 (0.41) C3AR1GLP1RFAPPOLBCTDSP1
SCHEMBL19303642 0.95 C3AR1 (0.41) C3AR1GLP1RFAPPOLBCTDSP1
SCHEMBL29459537 0.94 C3AR1 (0.42) C3AR1GLP1RFAPPOLBCTDSP1
SCHEMBL16925642 0.89 C3AR1 (0.40) C3AR1FAPPOLBCTDSP1FURIN
SCHEMBL22134344 0.89 C3AR1 (0.40) C3AR1FAPPOLBCTDSP1FURIN
SCHEMBL28051813 0.89 C3AR1 (0.40) C3AR1FAPPOLBCTDSP1FURIN
SCHEMBL2801888 0.89 C3AR1 (0.40) C3AR1FAPPOLBCTDSP1FURIN
SCHEMBL31294572 0.89 MGLL (0.36) C3AR1FAPFURINMGLL

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
US-20230317700-A1 CYTOTOXIC AND ANTI-MITOTIC COMPOUNDS, AND METHODS OF USING THE SAME ZYMEWORKS BC INC. (CA) 2023-10-05 — — US disclosed
US-20230317700-A1 CYTOTOXIC AND ANTI-MITOTIC COMPOUNDS, AND METHODS OF USING THE SAME ZYMEWORKS BC INC. (CA) 2023-10-05 — — US disclosed
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