SCHEMBL2519910

SCHEMBL2519910

O=C([O-])c1ccc(O)cc1Cc1ccccc1.[Na+]

nearest known ligand 0.58

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
ALOX5 known ✓ P09917 1/20 0.53
PDK1 known ✓ Q15118 1/20 0.41
PTPN1 P18031 3/20 0.46
PTPN2 P17706 1/20 0.46
PTPN6 P29350 1/20 0.46
BCL2 P10415 2/20 0.46
BCL2L1 Q07817 1/20 0.46
HSD17B3 P37058 1/20 0.44
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
FNTA P49354 1/20 0.43
FNTB P49356 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
HNF4A P41235 1/20 0.41

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
Zinc Ion SCHEMBL11175319 0.97 ALOX5 (0.53) ALOX5PTPN1PTPN2PTPN6BCL2
SCHEMBL417015 0.85 ALOX5 (0.58) ALOX5PTPN1PTPN2PTPN6BCL2
SCHEMBL310681 0.85 PTPN1 (0.58) ALOX5PTPN1PTPN2PTPN6BCL2
SCHEMBL27588745 0.82 MEN1 (0.62) ALOX5PTPN1PTPN2PTPN6BCL2
SCHEMBL28048457 0.79 HSP90AB1 (0.56) ALOX5PTPN1PTPN2PTPN6BCL2
SCHEMBL6762297 0.78 TDP1 (0.58) ALOX5KMT2AALDH1A1
(Chloromethyl)Benzene SCHEMBL7198605 0.78 PTPN1 (0.51) ALOX5PTPN1PTPN2PTPN6BCL2
SCHEMBL29029109 0.78 HSP90AA1 (0.55) ALOX5GAAKDM4EALDH1A1HPGD
SCHEMBL729988 0.78 HSD17B1 (0.50) HSD17B3KDM4EALDH1A1HPGD
SCHEMBL10599031 0.77 PTPN1 (0.49) ALOX5PTPN1PTPN2PTPN6MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2174652-B1 ORAL PHARMACEUTICAL DESMOPRESSIN COMPOSITION GP PHARM SA (ES) 2016-10-05 EP disclosed
US-8993521-B2 Oral pharmaceutical composition of desmopressin GP PHARM, S.A. (ES) 2015-03-31 US disclosed
US-20110251123-A1 ORAL PHARMACEUTICAL COMPOSITION OF DESMOPRESSIN GP PHARM, S.A. LABORATORIO REIG JOFRE, S.A. 2011-10-13 US disclosed
EP-2174652-A2 ORAL PHARMACEUTICAL DESMOPRESSIN COMPOSITION GP Pharm S.A. (ES) 2010-04-14 EP disclosed