SCHEMBL30892072

SCHEMBL30892072

C[C@@H](OC(C)(C)C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)C(C)(C)NC(=O)[C@H](Cc1ccc(OC(C)(C)C)cc1)NC(=O)OC(C)(C)C)[C@@H](C)OC(C)(C)C)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 9/20 0.42
▸ PSEN2 P49810 9/20 0.42
▸ APH1B Q8WW43 9/20 0.42
▸ NCSTN Q92542 9/20 0.42
▸ APH1A Q96BI3 9/20 0.42
▸ PSENEN Q9NZ42 9/20 0.42
▸ PSMB5 P28074 4/20 0.41
▸ PSMB8 P28062 3/20 0.41
▸ PSMB9 P28065 3/20 0.41
▸ PSMB1 P20618 2/20 0.41
▸ PSMB10 P40306 2/20 0.41
▸ PSMB2 P49721 2/20 0.41
▸ ABCB1 P08183 1/20 0.41
▸ CTSS P25774 3/20 0.41
▸ CTSK P43235 2/20 0.41
▸ CTSL P07711 1/20 0.41
▸ CTSB P07858 1/20 0.41
▸ REN P00797 2/20 0.40
▸ OPRM1 P35372 1/20 0.39
▸ OPRD1 P41143 1/20 0.39

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
SCHEMBL30930720 0.96 ACE (0.42) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL31501260 0.96 ABCB1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL31247975 0.95 ABCB1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL31247896 0.94 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL31247969 0.92 ABCB1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL31247966 0.92 OPRM1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL31296842 0.92 CCKBR (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL31247960 0.92 OPRD1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL31247874 0.91 PTPN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL38652065 0.90 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A

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
CN-118005767-A Method for preparing Tirzepatide by combining solid and liquid 柏佳薇(深圳)生物科技有限公司 2024-05-10 — — CN claimed
CN-118005767-A Method for preparing Tirzepatide by combining solid and liquid 柏佳薇(深圳)生物科技有限公司 2024-05-10 — — CN disclosed
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