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SCHEMBL29155451

SCHEMBL29155451

N[C@@H](CCC(=O)OC(=O)[C@@H](N)CCC(=O)O)C(=O)[O-].[Na+]

nearest known ligand 0.46

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 20)

geneUniProtsupporting neighboursconfidence
▸ GABRP known ✓ O00591 2/20 0.37
▸ GABRD known ✓ O14764 2/20 0.37
▸ GABRA1 known ✓ P14867 2/20 0.37
▸ GABRB1 known ✓ P18505 2/20 0.37
▸ GABRG2 known ✓ P18507 2/20 0.37
▸ GABRB3 known ✓ P28472 2/20 0.37
▸ GABRA5 known ✓ P31644 2/20 0.37
▸ GABRA3 known ✓ P34903 2/20 0.37
▸ GABRA2 known ✓ P47869 2/20 0.37
▸ GABRB2 known ✓ P47870 2/20 0.37
▸ GABRA4 known ✓ P48169 2/20 0.37
▸ GABRE known ✓ P78334 2/20 0.37
▸ GABRA6 known ✓ Q16445 2/20 0.37
▸ GABRG1 known ✓ Q8N1C3 2/20 0.37
▸ GABRG3 known ✓ Q99928 2/20 0.37
▸ GABRQ known ✓ Q9UN88 2/20 0.37
▸ SLC1A1 P43005 2/20 0.46
▸ GRM8 O00222 1/20 0.46
▸ GRM6 O15303 1/20 0.46
▸ GRIN2D O15399 1/20 0.46

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
SCHEMBL27311115 0.91 SLC1A1 (0.32) SLC1A1GRM8GRM6GRIN2DGRIN3B
Potassium Ion SCHEMBL27967948 0.88 SLC1A1 (0.32) SLC1A1GRM8GRM6GRIN2DGRIN3B
SCHEMBL1674762 0.88 SLC1A1 (0.54) SLC1A1GRM8GRM6GRIN2DGRIN3B
SCHEMBL28321407 0.86 SLC1A1 (0.44) SLC1A1GRM8GRM6GRIN2DGRIN3B
SCHEMBL14125401 0.86 GRM8 (0.56) SLC1A1GRM8GRM6GRIN2DGRIN3B
SCHEMBL20508769 0.84 GRM8 (0.67) SLC1A1GRM8GRM6GRIN2DGRIN3B
SCHEMBL31206935 0.84 GRM8 (0.67) SLC1A1GRM8GRM6GRIN2DGRIN3B
SCHEMBL1644848 0.84 SLC1A1 (0.37) SLC1A1GRM8GRM6GRIN2DGRIN3B
D-Glutamate SCHEMBL16336 0.84 CYP1A2 (0.62) SLC1A1GRM8GRM6GRIN2DGRIN3B
D-Glutamate SCHEMBL1782280 0.84 CYP1A2 (0.62) SLC1A1GRM8GRM6GRIN2DGRIN3B

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
CN-117618314-A Micro-nano softening hexagonal water skin care gel and preparation method thereof 广州科伲国际生物科技有限公司 2024-03-01 — — CN claimed
CN-117618314-A Micro-nano softening hexagonal water skin care gel and preparation method thereof 广州科伲国际生物科技有限公司 2024-03-01 — — CN disclosed
CN-112125821-B Aqueous solution containing N-long-chain acyl acidic amino acid and/or salt thereof and method for producing same 味之素株式会社 2024-02-20 — — CN disclosed