SCHEMBL2382333

SCHEMBL2382333

CCCCCCCCCC(=O)Oc1ccc(C(=O)[O-])cc1.[Na+]

nearest known ligand 0.56

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
CA1 known ✓ P00915 1/20 0.49
CA2 known ✓ P00918 1/20 0.49
F10 known ✓ P00742 1/20 0.48
KMT2A Q03164 5/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
ESR1 P03372 3/20 0.49
MEN1 O00255 1/20 0.48
SLC22A2 O15244 1/20 0.48
TMPRSS2 O15393 1/20 0.48
F2 P00734 1/20 0.48
PLG P00747 1/20 0.48
F12 P00748 1/20 0.48
PLAU P00749 1/20 0.48
PLAT P00750 1/20 0.48
KLKB1 P03952 1/20 0.48
CYP1A2 P05177 1/20 0.48
HPN P05981 1/20 0.48
CHRM2 P08172 1/20 0.48

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
SCHEMBL5705963 1.00 KMT2A (0.56) KMT2ASMN1; SMN2NPC1RAB9AESR1
SCHEMBL2379364 1.00 KMT2A (0.56) KMT2ASMN1; SMN2NPC1RAB9AESR1
SCHEMBL9764075 0.98 KMT2A (0.53) KMT2ASMN1; SMN2NPC1RAB9AESR1
Potassium Ion SCHEMBL9183921 0.97 KMT2A (0.56) KMT2ASMN1; SMN2NPC1RAB9AESR1
SCHEMBL5696715 0.87 KMT2A (0.68) KMT2ASMN1; SMN2NPC1RAB9AESR1
SCHEMBL38661498 0.87 KMT2A (0.68) KMT2ASMN1; SMN2NPC1RAB9AESR1
SCHEMBL5696798 0.87 KMT2A (0.68) KMT2ASMN1; SMN2NPC1RAB9AESR1
SCHEMBL5696854 0.87 KMT2A (0.68) KMT2ASMN1; SMN2NPC1RAB9AESR1
SCHEMBL15549028 0.87 KMT2A (0.68) KMT2ASMN1; SMN2NPC1RAB9AESR1
SCHEMBL18162002 0.86 KMT2A (0.59) KMT2ASMN1; SMN2NPC1RAB9AESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111386340-B Detergent compositions comprising polypeptide variants 宝洁公司 2024-05-24 CN disclosed
CN-117683748-A Detergent compositions comprising polypeptide variants 宝洁公司 2024-03-12 CN disclosed
CN-111386340-A Detergent compositions comprising polypeptide variants 宝洁公司 2020-07-07 CN disclosed
CN-111247245-A Detergent compositions comprising polypeptide variants 宝洁公司 2020-06-05 CN disclosed
US-9435073-B2 Electrochemical textile-washing process BASF SE (DE) 2016-09-06 US disclosed
US-20140346057-A1 ELECTROCHEMICAL TEXTILE-WASHING PROCESS BASF SE (DE) 2014-11-27 US disclosed
WO-2013034548-A1 METHOD FOR BLEACHING KITCHEN UTENSILS IN A DISHWASHER BASF SE (DE) 2013-03-14 WO disclosed
US-20130056364-A1 METHOD FOR THE BLEACHING OF KITCHENWARE IN A DISHWASHER BASF SE (DE) 2013-03-07 US disclosed
US-20110237484-A1 ELECTROCHEMICAL TEXTILE-WASHING PROCESS BASF SE (DE) 2011-09-29 US disclosed