SCHEMBL30132290

SCHEMBL30132290

COCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1)B([O-])O.[Na+]

nearest known ligand 0.54

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ACE known ✓ P12821 9/20 0.51
▸ REN P00797 1/20 0.54
▸ ACE2 Q9BYF1 6/20 0.48
▸ CTRB1 P17538 1/20 0.47
▸ F2 P00734 3/20 0.47
▸ PRSS1 P07477 1/20 0.47
▸ DPP4 P27487 2/20 0.46
▸ DPP8 Q6V1X1 2/20 0.46
▸ CMA1 P23946 1/20 0.44
▸ PREP P48147 2/20 0.43
▸ DPP7 Q9UHL4 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ TSHR P16473 1/20 0.43

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
SCHEMBL22698803 0.94 REN (0.55) RENACEACE2CTRB1F2
SCHEMBL13241217 0.94 REN (0.55) RENACEACE2CTRB1F2
SCHEMBL8261183 0.94 REN (0.55) RENACEACE2CTRB1F2
SCHEMBL8255495 0.94 REN (0.55) RENACEACE2CTRB1F2
SCHEMBL2475863 0.94 REN (0.55) RENACEACE2CTRB1F2
SCHEMBL8165627 0.94 REN (0.55) RENACEACE2CTRB1F2
SCHEMBL8261170 0.94 REN (0.55) RENACEACE2CTRB1F2
SCHEMBL971479 0.94 REN (0.55) RENACEACE2CTRB1F2
SCHEMBL8257154 0.90 REN (0.52) RENACEACE2CTRB1F2
SCHEMBL8265650 0.88 REN (0.59) RENACEACE2CTRB1F2

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
EP-3535410-B1 UNIVERSAL CONTROL MATERIAL FOR COAGULATION FACTOR INHIBITOR TESTS SIEMENS HEALTHCARE DIAGNOSTICS PRODUCTS GMBH (DE) 2022-12-14 — — EP claimed
EP-3535410-B1 UNIVERSAL CONTROL MATERIAL FOR COAGULATION FACTOR INHIBITOR TESTS SIEMENS HEALTHCARE DIAGNOSTICS PRODUCTS GMBH (DE) 2022-12-14 — — EP disclosed
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