SCHEMBL6579890

SCHEMBL6579890

COc1ccc(C23CC4CC(C2)CC(c2ccc(OC)cc2OCC2CO2)(C4)C3)c(OCC2CO2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.45
PTPN1 P18031 1/20 0.43
PKM P14618 2/20 0.41
ALDH1A1 P00352 5/20 0.40
TP53 P04637 3/20 0.40
TSHR P16473 3/20 0.40
MAPT P10636 3/20 0.40
MEN1 O00255 3/20 0.40
HPGD P15428 2/20 0.40
HIF1A Q16665 2/20 0.40
CYP1A2 P05177 1/20 0.40
PPARG P37231 1/20 0.40
CNR2 P34972 1/20 0.39
GLA P06280 1/20 0.39
LMNA P02545 4/20 0.39
CYP3A4 P08684 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 2/20 0.35
GAA P10253 1/20 0.35
ESR1 P03372 1/20 0.34

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
SCHEMBL2423932 0.91 ALDH1A1 (0.47) KMT2APTPN1PKMALDH1A1TP53
SCHEMBL13082248 0.91 ALDH1A1 (0.47) KMT2APTPN1PKMALDH1A1TP53
SCHEMBL12056651 0.86 ALDH1A1 (0.42) KMT2APTPN1PKMALDH1A1TP53
SCHEMBL13955379 0.85 ALDH1A1 (0.39) KMT2APTPN1PKMALDH1A1TP53
SCHEMBL6579887 0.85 ALDH1A1 (0.43) KMT2APKMALDH1A1TP53TSHR
SCHEMBL3757109 0.84 ALDH1A1 (0.49) KMT2APTPN1PKMALDH1A1TP53
SCHEMBL2422436 0.84 ALDH1A1 (0.49) KMT2APTPN1PKMALDH1A1TP53
SCHEMBL14040681 0.83 ALDH1A1 (0.37) KMT2APTPN1PKMALDH1A1TP53
SCHEMBL18946499 0.82 KMT2A (0.54) KMT2AALDH1A1MAPTMEN1CYP1A2
SCHEMBL2420676 0.81 ALDH1A1 (0.47) KMT2APTPN1PKMALDH1A1TP53

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-1080084-B1 PROCESS FOR EPOXIDATION OF ARYL ALLYL ETHERS DOW GLOBAL TECHNOLOGIES INC (US) 2004-05-06 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
EP-1080084-B1 PROCESS FOR EPOXIDATION OF ARYL ALLYL ETHERS DOW GLOBAL TECHNOLOGIES INC (US) 2004-05-06 EP disclosed