SCHEMBL8294609

SCHEMBL8294609

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

nearest known ligand 0.44

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 5)

geneUniProtsupporting neighboursconfidence
CA4 known ✓ P22748 1/20 0.30
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
ALOX15 P16050 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL8817028 0.81 TDP1 (0.33) KDM4EMAPTALOX15SMN1; SMN2
SCHEMBL3435871 0.66 FAAH (0.36) KDM4EMAPTALOX15SMN1; SMN2
Bicine SCHEMBL783494 0.65 KDM4E (0.91) KDM4EMAPTALOX15SMN1; SMN2CA4
SCHEMBL382697 0.65 ALOX15 (0.91) KDM4EMAPTALOX15SMN1; SMN2CA4
SCHEMBL27712183 0.64 SMN1; SMN2 (0.35) KDM4EMAPTALOX15SMN1; SMN2
SCHEMBL31349875 0.63 KDM4E (0.95) KDM4EMAPTALOX15SMN1; SMN2CA4
Water SCHEMBL11884555 0.63 ALOX15 (0.86) KDM4EMAPTALOX15SMN1; SMN2CA4
SCHEMBL1551330 0.63 TDP1 (0.33) KDM4EMAPTALOX15SMN1; SMN2
SCHEMBL379765 0.62 ALOX15 (1.00) KDM4EMAPTALOX15SMN1; SMN2CA4
SCHEMBL15992394 0.62 KDM4E (0.45) KDM4EMAPTALOX15SMN1; SMN2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6060121-A Microcontact printing of catalytic colloids PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2000-05-09 US disclosed
US-5925463-A METALS OF GROUPS 1B,2B,3,4,5,6,7B,8, LANTHANOIDES, AND/OR ACTINOIDES ARE CATHODICALLY REDUCED IN THE PRESENCE OF A STABILIZER, IN ORGANIC SOLVENTS TO FORM METAL COLLOID POWDERS OF CONTROLLED PARTICLE SIZES AND USE IN MAKING CATALYSTS STUDIENGESELLSCHAFT KOHLE MBH 1999-07-20 US disclosed
EP-0672765-B1 Electrochemical reduction of metal salts as a method of preparing highly dispersed metal colloids and substrate fixed metal clusters by electrochemical reduction of metal salts STUDIENGESELLSCHAFT KOHLE MBH (DE) 1999-06-30 EP disclosed
US-5620584-A Electrochemical reduction of metal salts as a method of preparing highly dispersed metal colloids and substrate fixed metal clusters by electrochemical reduction of metal salts STUDIENGESELLSCHAFT KOHLE MBH (DE) 1997-04-15 US disclosed
EP-0672765-A1 Electrochemical reduction of metal salts as a method of preparing highly dispersed metal colloids and substrate fixed metal clusters by electrochemical reduction of metal salts Studiengesellschaft Kohle mbH (DE) 1995-09-20 EP disclosed