SCHEMBL6578157

SCHEMBL6578157

COc1ccc(C2(c3ccc(OC)cc3OCC3CO3)c3ccccc3-c3ccccc32)c(OCC2CO2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.52
ALDH1A1 P00352 5/20 0.46
GLA P06280 1/20 0.46
PKM P14618 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
TP53 P04637 3/20 0.41
TSHR P16473 3/20 0.41
HIF1A Q16665 2/20 0.41
CYP3A4 P08684 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
PDK2 Q15119 2/20 0.40
MAPT P10636 3/20 0.38
HPGD P15428 2/20 0.38
CYP1A2 P05177 1/20 0.38
PPARG P37231 1/20 0.38
DRD4 P21917 3/20 0.36
ADRA2C P18825 1/20 0.36
LMNA P02545 1/20 0.35

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
SCHEMBL20590534 0.87 ALDH1A1 (0.47) PTPN1ALDH1A1GLAPKMTDP1
SCHEMBL6577525 0.85 ALDH1A1 (0.51) PTPN1ALDH1A1GLAPKMTDP1
SCHEMBL29462126 0.83 ALDH1A1 (0.57) PTPN1ALDH1A1GLAPKMTDP1
SCHEMBL4763268 0.83 ALDH1A1 (0.57) PTPN1ALDH1A1GLAPKMTDP1
SCHEMBL15829484 0.79 ALDH1A1 (0.55) ALDH1A1GLAPKMTDP1TP53
SCHEMBL1673436 0.78 ALDH1A1 (0.46) PTPN1ALDH1A1GLATDP1TP53
SCHEMBL29876975 0.78 ALDH1A1 (0.46) PTPN1ALDH1A1GLATDP1TP53
SCHEMBL31093467 0.78 ALDH1A1 (0.51) PTPN1ALDH1A1GLAPKMTDP1
SCHEMBL30621812 0.78 ALDH1A1 (0.50) PTPN1ALDH1A1GLAPKMTDP1
SCHEMBL22493938 0.78 ALDH1A1 (0.50) PTPN1ALDH1A1GLAPKMTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1080084-B1 PROCESS FOR EPOXIDATION OF ARYL ALLYL ETHERS DOW GLOBAL TECHNOLOGIES INC (US) 2004-05-06 EP claimed
JP-2002517387-A 2002-06-18 JP claimed
EP-1080084-A2 PROCESS FOR EPOXIDATION OF ARYL ALLYL ETHERS THE DOW CHEMICAL COMPANY (US) 2001-03-07 EP claimed
US-6087513-A REACTION OF ALLYL ARYL ETHER WITH HYDROGEN PEROXIDE IN THE PRESENCE OF TRANSITION METALS FOR OXIDATION THE DOW CHEMICAL COMPANY (US) 2000-07-11 US claimed
WO-1999062894-A2 PROCESS FOR EPOXIDATION OF ARYL ALLYL ETHERS THE DOW CHEMICAL COMPANY (US) 1999-12-09 WO claimed
EP-1080084-B1 PROCESS FOR EPOXIDATION OF ARYL ALLYL ETHERS DOW GLOBAL TECHNOLOGIES INC (US) 2004-05-06 EP disclosed
EP-1080084-A2 PROCESS FOR EPOXIDATION OF ARYL ALLYL ETHERS THE DOW CHEMICAL COMPANY (US) 2001-03-07 EP disclosed
US-6087513-A REACTION OF ALLYL ARYL ETHER WITH HYDROGEN PEROXIDE IN THE PRESENCE OF TRANSITION METALS FOR OXIDATION THE DOW CHEMICAL COMPANY (US) 2000-07-11 US disclosed
WO-1999062894-A2 PROCESS FOR EPOXIDATION OF ARYL ALLYL ETHERS THE DOW CHEMICAL COMPANY (US) 1999-12-09 WO disclosed