SCHEMBL6577525

SCHEMBL6577525

Cc1ccc(C2(c3ccc(C)cc3OCC3CO3)c3ccccc3-c3ccccc32)c(OCC2CO2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
GLA P06280 1/20 0.51
TDP1 Q9NUW8 1/20 0.41
TSHR P16473 4/20 0.40
TP53 P04637 3/20 0.40
HIF1A Q16665 2/20 0.40
CYP3A4 P08684 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PTPN1 P18031 1/20 0.36
PDK2 Q15119 2/20 0.36
HPGD P15428 3/20 0.34
MAPT P10636 2/20 0.34
CYP1A2 P05177 1/20 0.34
PPARG P37231 1/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
VDR P11473 1/20 0.33
PKM P14618 2/20 0.33

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
SCHEMBL31093467 0.90 ALDH1A1 (0.51) ALDH1A1GLATDP1TSHRTP53
SCHEMBL6578157 0.85 PTPN1 (0.52) ALDH1A1GLATDP1TSHRTP53
SCHEMBL29462126 0.85 ALDH1A1 (0.57) ALDH1A1GLATDP1TSHRTP53
SCHEMBL4763268 0.85 ALDH1A1 (0.57) ALDH1A1GLATDP1TSHRTP53
SCHEMBL20590534 0.81 ALDH1A1 (0.47) ALDH1A1GLATDP1TSHRTP53
SCHEMBL10695884 0.81 ALDH1A1 (0.48) ALDH1A1GLATDP1TSHRTP53
SCHEMBL20077674 0.80 ALDH1A1 (0.55) ALDH1A1GLATDP1TSHRTP53
SCHEMBL30970985 0.80 ALDH1A1 (0.55) ALDH1A1GLATDP1TSHRTP53
SCHEMBL29385239 0.80 ALDH1A1 (0.55) ALDH1A1GLATDP1TSHRTP53
SCHEMBL1673410 0.80 ALDH1A1 (0.55) ALDH1A1GLATDP1TSHRTP53

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