SCHEMBL8192526

SCHEMBL8192526

O=C(COc1ccccc1)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(COC(=O)N3CCN(c4cc5c(cc4F)c(=O)c(C(=O)[O-])cn5C4CC4)CC3)CS[C@H]12.[Na+].[Na+]

nearest known ligand 0.46

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
L3MBTL1 Q9Y468 1/20 0.46
PIK3CG P48736 4/20 0.43
PIK3CD O00329 2/20 0.42
PIK3R1 P27986 2/20 0.42
PIK3CA P42336 2/20 0.42
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 3/20 0.41
HSD17B10 Q99714 3/20 0.41
CYP3A4 P08684 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
HPGD P15428 2/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.41
GLA P06280 1/20 0.41
APEX1 P27695 1/20 0.41
KMT2A Q03164 1/20 0.41
PKM P14618 1/20 0.41
POLB P06746 1/20 0.41
PTPN7 P35236 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
SCHEMBL9021173 0.92 L3MBTL1 (0.52) L3MBTL1PIK3CGPIK3CDPIK3R1PIK3CA
SCHEMBL9329792 0.92 L3MBTL1 (0.52) L3MBTL1PIK3CGPIK3CDPIK3R1PIK3CA
SCHEMBL8183767 0.89 TDP1 (0.56) L3MBTL1PIK3CGPIK3CDPIK3R1PIK3CA
SCHEMBL9021139 0.88 PIK3CG (0.47) L3MBTL1PIK3CGPIK3CDPIK3R1PIK3CA
SCHEMBL10439315 0.85 KDM4E (0.46) L3MBTL1PIK3CGKDM4EALDH1A1MAPT
SCHEMBL9022337 0.83 L3MBTL1 (0.53) L3MBTL1PIK3CGPIK3CDPIK3R1PIK3CA
SCHEMBL8194365 0.83 KDM4E (0.44) PIK3CGPIK3CDPIK3R1PIK3CAKDM4E
SCHEMBL9743435 0.82 L3MBTL1 (0.47) L3MBTL1KDM4EALDH1A1MAPTHSD17B10
SCHEMBL8880532 0.81 MAPT (0.56) PIK3CGPIK3CDPIK3R1PIK3CAKDM4E
SCHEMBL1387672 0.81 MAPT (0.56) PIK3CGPIK3CDPIK3R1PIK3CAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0997466-A1 Novel antimicrobial lactam-quinolones PROCTER & GAMBLE PHARMACEUTICALS, INC. (US) 2000-05-03 EP claimed
US-5656623-A BACTERICIDES; ANTIBIOTICS THE PROCTER & GAMBLE COMPANY (US) 1997-08-12 US claimed
EP-0366189-A2 Novel antimicrobial lactam-quinolones Norwich Eaton Pharmaceuticals, Inc. (US) 1990-05-02 EP claimed