SCHEMBL31052258

SCHEMBL31052258

O=C([O-])c1ccc(-c2cc3ccccc3o2)c(C(=O)[O-])c1.[Na+].[Na+]

nearest known ligand 0.45

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 2/20 0.41
CA12 known ✓ O43570 2/20 0.41
CA4 known ✓ P22748 1/20 0.41
CA2 known ✓ P00918 1/20 0.40
ALOX5 known ✓ P09917 1/20 0.40
MAOB P27338 3/20 0.45
MAOA P21397 1/20 0.45
PTPRC P08575 1/20 0.43
PTPN1 P18031 1/20 0.43
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
TDP1 Q9NUW8 2/20 0.42
FLT3 P36888 1/20 0.41
NPC1 O15118 5/20 0.41
RAB9A P51151 5/20 0.41
TSHR P16473 3/20 0.41
CA9 Q16790 3/20 0.41
MAPK1 P28482 2/20 0.41
CA3 P07451 1/20 0.41
CA6 P23280 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
SCHEMBL4460928 0.81 MAOB (0.53) MAOBMAOAPTPRCPTPN1MEN1
Potassium SCHEMBL31668788 0.80 MAOB (0.51) MAOBMAOAPTPRCPTPN1MEN1
SCHEMBL2209825 0.74 TSHR (0.58) MAOBMAOAPTPRCPTPN1MEN1
SCHEMBL27468894 0.74 NPC1 (0.58) MAOBMAOAPTPRCPTPN1MEN1
Coumarin-3-Carboxylic Acid SCHEMBL28474865 0.72 MAOB (0.70) MAOBMAOANPC1RAB9ATSHR
SCHEMBL3338142 0.71 MAOB (0.58) MAOBMAOAPTPRCPTPN1MEN1
SCHEMBL28942741 0.70 FLT3 (0.69) MEN1KMT2ATDP1FLT3NPC1
SCHEMBL2907025 0.70 KDM4E (0.62) MAOBMAOAMEN1KMT2ANPC1
SCHEMBL8707447 0.70 MAOB (0.50) MAOBMAOAPTPRCPTPN1MEN1
Coumarin-3-Carboxylic Acid SCHEMBL5872875 0.69 MAOB (0.70) MAOBMAOANPC1RAB9ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118370312-B Method for improving freezing tolerance of bovine blastula 吉林农业大学 2024-10-11 CN disclosed
CN-118370312-A Method for improving freezing tolerance of bovine blastula 吉林农业大学 2024-07-23 CN disclosed