SCHEMBL9301307

SCHEMBL9301307

CCOC(=O)C=C(C)NC(C(=O)[O-])c1ccccc1.[Na+]

nearest known ligand 0.48

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
MAPT P10636 3/20 0.48
LMNA P02545 2/20 0.48
MDM4 O15151 1/20 0.48
MDM2 Q00987 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.43
MMP8 P22894 1/20 0.42
TSHR P16473 1/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
GAA P10253 1/20 0.39
ALDH1A1 P00352 1/20 0.38
CASP3 P42574 1/20 0.38
RAB9A P51151 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL11607920 1.00 MAPT (0.48) MAPTLMNAMDM4MDM2SMN1; SMN2
Potassium Ion SCHEMBL8624951 0.97 MAPT (0.48) MAPTLMNAMDM4MDM2SMN1; SMN2
Potassium Ion SCHEMBL6155599 0.97 MAPT (0.48) MAPTLMNAMDM4MDM2SMN1; SMN2
Potassium Ion SCHEMBL29349588 0.97 MAPT (0.48) MAPTLMNAMDM4MDM2SMN1; SMN2
SCHEMBL8680909 0.89 MAPT (0.50) MAPTLMNAMDM4MDM2SMN1; SMN2
SCHEMBL28088781 0.89 MAPT (0.50) MAPTLMNAMDM4MDM2SMN1; SMN2
SCHEMBL9301284 0.89 MAPT (0.50) MAPTLMNAMDM4MDM2SMN1; SMN2
SCHEMBL9302196 0.88 CA12 (0.43) MAPTLMNAMDM4MDM2SMN1; SMN2
SCHEMBL8624954 0.88 MAPT (0.49) MAPTLMNAMDM4MDM2SMN1; SMN2
SCHEMBL11606839 0.86 TSHR (0.43) SMN1; SMN2TSHRKDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0437567-B1 PHENYL-GLYCINE DERIVATIVES CHINOIN GYOGYSZER ES VEGYESZET (HU) 1994-12-07 EP disclosed
EP-0437566-B1 PHENYL-GLYCINE DERIVATIVES CHINOIN GYOGYSZER ES VEGYESZET (HU) 1994-09-28 EP disclosed
US-5338868-A Reacting glycine derivative with trifluoro methane sulfonic acid derivative at low temperature CHINOIN GYOGYSZER- ES VEGYESZETI TERMEKEK GYARA RT. (HU) 1994-08-16 US disclosed
WO-1991001969-A1 PHENYL-GLYCINE DERIVATIVES CHINOIN GYÓGYSZER ÉS VEGYÉSZETI TERMÉKEK GYÁRA RT (HU) 1991-02-21 WO disclosed
WO-1991001968-A1 PHENYL-GLYCINE DERIVATIVES CHINOIN GYÓGYSZER ÉS VEGYÉSZETI TERMÉKEK GYÁRA RT (HU) 1991-02-21 WO disclosed
US-4066657-A ANTIBACTERIAL AGENTS FOR ANIMAL FEED SUPPLEMENTS PFIZER INC. (US) 1978-01-03 US disclosed
US-4036846-A ANTIBACTERIAL PFIZER INC. (US) 1977-07-19 US disclosed
US-4031077-A Antibacterial 3-phosphono penams PFIZER INC. (US) 1977-06-21 US disclosed