SCHEMBL29066586

SCHEMBL29066586

NOC(=O)C(N)CC(=O)[O-].[Na+]

nearest known ligand 0.41

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 7)

geneUniProtsupporting neighboursconfidence
▸ CA2 known ✓ P00918 1/20 0.41
▸ CA4 known ✓ P22748 3/20 0.39
▸ CPT2 P23786 1/20 0.38
▸ CPT1A P50416 1/20 0.38
▸ CTSL P07711 1/20 0.33
▸ SLC22A16 Q86VW1 1/20 0.31
▸ CASP1 P29466 1/20 0.31

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
SCHEMBL27969565 0.81 CA2 (0.41) CA2CA4CPT2CPT1ACTSL
Phosphine SCHEMBL27761535 0.79 CA2 (0.40) CA2CA4CPT2CPT1ASLC22A16
SCHEMBL16200587 0.77 — —
Potassium Ion SCHEMBL31723413 0.77 CPT2 (0.38) CA2CA4CPT2CPT1ACTSL
SCHEMBL4656229 0.77 CPT2 (0.38) CA2CA4CPT2CPT1ACTSL
SCHEMBL1077466 0.76 ALOX15 (0.34) —
SCHEMBL28002998 0.76 SLC22A6 (0.38) —
SCHEMBL1078699 0.76 — —
SCHEMBL291079 0.76 — —
SCHEMBL62914 0.76 SLC22A6 (0.38) —

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-116492499-A Preparation method of epoxy hyaluronic acid modified acellular dermal matrix, product prepared by preparation method and application of product 江阴奔翔生物科技有限公司 2023-07-28 — — CN claimed
CN-116492499-A Preparation method of epoxy hyaluronic acid modified acellular dermal matrix, product prepared by preparation method and application of product 江阴奔翔生物科技有限公司 2023-07-28 — — CN disclosed
Send feedback