SCHEMBL29379571

SCHEMBL29379571

N[C@@H](CS)C(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 2/20 0.47
▸ GSTK1 Q9Y2Q3 1/20 0.47
▸ FNTA P49354 8/20 0.45
▸ FNTB P49356 8/20 0.45
▸ PGGT1B P53609 5/20 0.45
▸ TGFBR1 P36897 3/20 0.40
▸ SLC7A11 Q9UPY5 1/20 0.39
▸ MME P08473 3/20 0.39
▸ OPRM1 P35372 1/20 0.37
▸ OPRD1 P41143 1/20 0.37
▸ OPRK1 P41145 1/20 0.37
▸ MMP2 P08253 1/20 0.37
▸ ACE P12821 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
SCHEMBL29382390 0.89 TGFBR1 (0.43) PTGS1GSTK1FNTAFNTBPGGT1B
SCHEMBL29528171 0.89 TGFBR1 (0.43) PTGS1GSTK1FNTAFNTBPGGT1B
SCHEMBL29528046 0.89 TGFBR1 (0.43) PTGS1GSTK1FNTAFNTBPGGT1B
SCHEMBL29420016 0.89 TGFBR1 (0.43) PTGS1GSTK1FNTAFNTBPGGT1B
SCHEMBL29527284 0.89 TGFBR1 (0.43) PTGS1GSTK1FNTAFNTBPGGT1B
SCHEMBL1493227 0.88 PTGS1 (0.55) PTGS1GSTK1FNTAFNTBPGGT1B
SCHEMBL265264 0.87 PTGS1 (0.42) PTGS1GSTK1TGFBR1MMEOPRM1
SCHEMBL30679729 0.87 PTGS1 (0.42) PTGS1GSTK1TGFBR1MMEOPRM1
SCHEMBL30679730 0.87 PTGS1 (0.42) PTGS1GSTK1TGFBR1MMEOPRM1
SCHEMBL265263 0.87 PTGS1 (0.42) PTGS1GSTK1TGFBR1MMEOPRM1

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
CN-114040986-A Method of diagnosing disease 4D制药科克有限公司 2022-02-11 — — CN disclosed
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