SCHEMBL30480141

SCHEMBL30480141

O=C(CNC(=O)OCc1ccccc1)N[C@@H](CS)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CTRB1 P17538 2/20 0.54
▸ MAPK1 P28482 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.52
▸ FOLH1 Q04609 2/20 0.49
▸ LMNA P02545 2/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ HTT P42858 2/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ FNTA P49354 1/20 0.48
▸ FNTB P49356 1/20 0.48

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
SCHEMBL31265234 0.88 CASP1 (0.54) MAPK1ALDH1A1FOLH1HTT
SCHEMBL330061 0.88 CTSL (0.55) CTRB1ALDH1A1
SCHEMBL8976911 0.88 CTSL (0.55) CTRB1ALDH1A1
SCHEMBL5486969 0.88 CTSL (0.55) CTRB1ALDH1A1
SCHEMBL2416694 0.86 CTRB1 (0.67) CTRB1ALDH1A1FNTAFNTB
SCHEMBL9544107 0.86 CTRB1 (0.67) CTRB1ALDH1A1FNTAFNTB
SCHEMBL6568131 0.86 CTRB1 (0.67) CTRB1ALDH1A1FNTAFNTB
SCHEMBL11239042 0.86 CTSL (0.53) CTRB1ALDH1A1
SCHEMBL31488862 0.86 ALDH1A1 (0.51) MAPK1CYP3A4ALDH1A1FOLH1LMNA
SCHEMBL16485550 0.86 CTSL (0.53) CTRB1ALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112638934-B Solution phase Path for WNT hexapeptide 温特研究公司 2024-06-11 — — CN disclosed
US-11970551-B2 Solution phase routes for WNT hexapeptides WNTRESEARCH AB (SE) 2024-04-30 — — US disclosed
US-11912791-B2 Solution phase routes for Wnt hexapeptides WNTRESEARCH AB (SE) 2024-02-27 — — US disclosed
US-20230295232-A1 SOLUTION PHASE ROUTES FOR WNT HEXAPEPTIDES WNTRESEARCH AB (SE) 2023-09-21 — — US disclosed
EP-3841107-B1 SOLUTION PHASE ROUTES FOR WNT HEXAPEPTIDES WNTRESEARCH AB (SE) 2023-06-28 — — EP disclosed
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