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SCHEMBL30818270

SCHEMBL30818270

C[C@H](N)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TFPI P10646 1/20 0.58
▸ OPRL1 P41146 9/20 0.57
▸ CXCR4 P61073 2/20 0.50
▸ IL23R Q5VWK5 1/20 0.49
▸ QRFPR Q96P65 1/20 0.49

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
SCHEMBL30312672 0.88 OPRL1 (0.53) TFPIOPRL1IL23RQRFPR
SCHEMBL30312727 0.88 OPRL1 (0.53) TFPIOPRL1IL23RQRFPR
SCHEMBL30312750 0.88 OPRL1 (0.53) TFPIOPRL1IL23RQRFPR
SCHEMBL30312668 0.88 OPRL1 (0.53) TFPIOPRL1IL23RQRFPR
SCHEMBL30312705 0.88 OPRL1 (0.53) TFPIOPRL1IL23RQRFPR
SCHEMBL30312671 0.88 OPRL1 (0.53) TFPIOPRL1IL23RQRFPR
SCHEMBL30312729 0.87 QRFPR (0.52) TFPIOPRL1IL23RQRFPR
SCHEMBL30312694 0.87 QRFPR (0.52) TFPIOPRL1IL23RQRFPR
SCHEMBL30312660 0.87 QRFPR (0.52) TFPIOPRL1IL23RQRFPR
SCHEMBL30312706 0.87 QRFPR (0.52) TFPIOPRL1IL23RQRFPR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117838710-A Application of pentacyclic triterpene compound in preparation of medicine for preventing and/or treating sarcoidosis 浙江普利药业有限公司 2024-04-09 — — CN disclosed
CN-117838709-A Application of triterpenoid saponin compound in preparing medicine for preventing and/or treating nodular, fibrotic or granulomatous diseases 浙江普利药业有限公司 2024-04-09 — — CN disclosed
WO-2024067330-A1 USE OF PENTACYCLIC TRITERPENOID COMPOUND IN PREPARING MEDICAMENT FOR PREVENTING AND/OR TREATING SARCOIDOSIS 浙江普利药业有限公司 2024-04-04 — — WO disclosed
WO-2024067327-A1 USE OF TRITERPENOID SAPONIN COMPOUND IN PREPARATION OF MEDICAMENT FOR PREVENTING AND/OR TREATING NODULE, FIBROSIS, OR GRANULOMA DISEASES 浙江普利药业有限公司 2024-04-04 — — WO disclosed
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