SCHEMBL29592964

SCHEMBL29592964

O=C(NCCOP(=O)([O-])[O-])OCc1ccccc1.[Na+].[Na+]

nearest known ligand 0.68

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 16)

geneUniProtsupporting neighboursconfidence
▸ CA12 known ✓ O43570 1/20 0.48
▸ CA1 known ✓ P00915 1/20 0.48
▸ CA2 known ✓ P00918 1/20 0.48
▸ LMNA P02545 1/20 0.68
▸ SMN1; SMN2 Q16637 1/20 0.68
▸ HTT P42858 1/20 0.57
▸ L3MBTL1 Q9Y468 2/20 0.56
▸ MAPT P10636 1/20 0.55
▸ TGM2 P21980 1/20 0.51
▸ KEAP1 Q14145 2/20 0.50
▸ NFE2L2 Q16236 2/20 0.50
▸ SLC1A3 P43003 1/20 0.48
▸ SLC1A1 P43005 1/20 0.48
▸ CA9 Q16790 1/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47

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
SCHEMBL5581831 0.87 LMNA (0.70) LMNASMN1; SMN2HTTL3MBTL1MAPT
Phosphoric Acid SCHEMBL30873514 0.83 LMNA (0.60) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL22208020 0.82 LMNA (0.56) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL9932446 0.82 LMNA (0.63) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL8189834 0.82 LMNA (0.63) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL5063193 0.82 LMNA (0.77) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL7372302 0.82 SMN1; SMN2 (1.00) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL9932079 0.81 LMNA (0.62) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL13055383 0.81 LMNA (0.80) LMNASMN1; SMN2HTTL3MBTL1MAPT
SCHEMBL35211277 0.81 LMNA (0.74) LMNASMN1; SMN2HTTL3MBTL1MAPT

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
CN-114591361-A Preparation method of (R) -glycerol phosphatidylethanolamine 苏州昊帆生物股份有限公司 2022-06-07 — — CN claimed
CN-114591361-B Preparation method of (R) -glycerophosphatidylethanolamine 苏州昊帆生物股份有限公司 2024-04-26 — — CN disclosed
CN-114591361-A Preparation method of (R) -glycerol phosphatidylethanolamine 苏州昊帆生物股份有限公司 2022-06-07 — — CN disclosed
CN-114591361-A Preparation method of (R) -glycerol phosphatidylethanolamine 苏州昊帆生物股份有限公司 2022-06-07 — — CN disclosed
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