SCHEMBL8632391

SCHEMBL8632391

CC(C)(C)OC(=O)N1CCC(CO)CC1.Cc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.55

Known targets — ChEMBL curated mechanism

ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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 8)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 12/20 0.55
MMP13 P45452 1/20 0.53
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
STS P08842 2/20 0.49
TP53 P04637 1/20 0.48
KDM4E B2RXH2 1/20 0.48
PKM P14618 1/20 0.48

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
SCHEMBL7396569 0.89 GPR119 (0.54) GPR119MMP13KMT2AMEN1STS
SCHEMBL10265584 0.85 GPR119 (0.57) GPR119MMP13KMT2AMEN1STS
SCHEMBL6011455 0.84 GPR119 (0.50) GPR119MMP13KMT2AMEN1TP53
SCHEMBL28978030 0.83 GPR119 (0.58) GPR119MMP13KMT2AMEN1STS
SCHEMBL216692 0.83 GPR119 (0.58) GPR119MMP13KMT2AMEN1STS
SCHEMBL372033 0.83 NR1H2 (0.54) GPR119STSKDM4EPKM
SCHEMBL16828034 0.83 KMT2A (0.54) GPR119MMP13KMT2AMEN1STS
SCHEMBL282240 0.82 GPR119 (0.60) GPR119MMP13KMT2AMEN1
SCHEMBL9037340 0.82 GPR119 (0.53) GPR119MMP13KMT2AMEN1STS
SCHEMBL6218596 0.82 NR1H2 (0.61) GPR119KDM4EPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5773465-A Tartronic acids, their acetalic ethers and o-esters DOMPE FARMACEUTICI S.P.A. (IT) 1998-06-30 US disclosed
US-5656656-A Tartronic acids, their acetalic ethers and O-esters DOMPE FARMACEUTICI S.P.A. (IT) 1997-08-12 US disclosed
EP-0667850-B1 TARTRONIC ACIDS, THEIR ACETALIC ETHERS AND O-ESTERS DOMPE FARMACEUTICI SPA (IT) 1997-05-28 EP disclosed
EP-0667850-A1 TARTRONIC ACIDS, THEIR ACETALIC ETHERS AND O-ESTERS. DOMPE FARMACEUTICI SPA (IT) 1995-08-23 EP disclosed
WO-1994010127-A1 TARTRONIC ACIDS, THEIR ACETALIC ETHERS AND O-ESTERS DOMPE' FARMACEUTICI S.P.A. (IT) 1994-05-11 WO disclosed