SCHEMBL9810936

SCHEMBL9810936

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

nearest known ligand 0.32

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 2)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 2/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL2331727 0.89 CA2 (0.31)
SCHEMBL7059829 0.86 CA4 (0.31)
Potassium Ion SCHEMBL9336366 0.86
SCHEMBL6639635 0.85 GABRR1 (0.39) GABRR1LMNA
Ammonia Solution, Strong SCHEMBL9563376 0.84
Ammonia Solution, Strong SCHEMBL7775434 0.84
Potassium Ion SCHEMBL7858845 0.84
Ammonia Solution, Strong SCHEMBL9153449 0.84 GABRR1 (0.38) GABRR1LMNA
Ammonia Solution, Strong SCHEMBL9133439 0.84 GABRR1 (0.38) GABRR1LMNA
Water SCHEMBL8747201 0.84 GABRR1 (0.38) GABRR1LMNA

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
EP-0205121-B1 PROCESSING METHOD FOR SILVER HALIDE COLOR PHOTOSENSITIVE MATERIALS FUJI PHOTO FILM CO., LTD. (JP) 1991-06-26 EP claimed
US-4804617-A CONTAINING A 5-PYRAZOLONE- OR PYRAZOLOAZOLE-TYPE 2-EQUIVALENT MAGENTA COUPLER; USING A FINAL FIXING BATH CONTAINING A FERRIC COMPLEX SALT AMINOCARBOXYLATE FUJI PHOTO FILM CO., LTD. (JP) 1989-02-14 US claimed
EP-0205121-A2 Processing method for silver halide color photosensitive materials FUJI PHOTO FILM CO., LTD. (JP) 1986-12-17 EP claimed