SCHEMBL30205451

SCHEMBL30205451

O=C(N[C@@H](CC1CCCCC1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)[O-])OCc1cccc(Cl)c1.[Na+]

nearest known ligand 0.82

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 6)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.67
CTSB P07858 1/20 0.67
CTSS P25774 1/20 0.67
CTSK P43235 1/20 0.67
CTSF Q9UBX1 1/20 0.67
CAPN1 P07384 1/20 0.58

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
SCHEMBL21114867 0.93 CTSL (0.67) CTSLCTSBCTSSCTSKCTSF
SCHEMBL21114870 0.93 CTSL (0.67) CTSLCTSBCTSSCTSKCTSF
SCHEMBL23149291 0.93 CTSL (0.67) CTSLCTSBCTSSCTSKCTSF
SCHEMBL21114828 0.91 CTSL (0.67) CTSLCTSBCTSSCTSKCTSF
SCHEMBL30206086 0.91 CTSL (0.80) CTSLCTSBCTSSCTSKCTSF
SCHEMBL30174648 0.89 CTSL (0.59) CTSLCTSBCTSSCTSKCTSF
SCHEMBL30205759 0.87 CTSL (0.65) CTSLCTSBCTSSCTSKCTSF
SCHEMBL30174739 0.87 CTSL (0.56) CTSLCTSBCTSSCTSKCTSF
SCHEMBL28964694 0.87 CTSL (0.56) CTSLCTSBCTSSCTSKCTSF
SCHEMBL28964697 0.87 CTSL (0.56) CTSLCTSBCTSSCTSKCTSF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12077830-B2 Methods for detecting norovirus QUEST DIAGNOSTICS INVESTMENTS LLC (US) 2024-09-03 US disclosed
US-20230279513-A1 METHODS FOR DETECTING NOROVIRUS QUEST DIAGNOSTICS INVESTMENTS LLC (US) 2023-09-07 US disclosed
US-11555223-B2 Methods for detecting Norovirus QUEST DIAGNOSTICS INVESTMENTS LLC (US) 2023-01-17 US disclosed