SCHEMBL6577931

SCHEMBL6577931

C=C(C)COc1c(Br)cc(C)cc1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.39
ALDH1A1 P00352 6/20 0.37
LMNA P02545 4/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
POLB P06746 2/20 0.37
TSHR P16473 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPT P10636 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
THRB P10828 2/20 0.35
THRA P10827 1/20 0.35
HSD17B3 P37058 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
SCHEMBL9181295 0.86 HSD17B10 (0.38) KDM4EALDH1A1LMNAKMT2AMEN1
SCHEMBL9332599 0.80 ALDH1A1 (0.51) KDM4EALDH1A1LMNAKMT2AMEN1
SCHEMBL670896 0.80 MEN1 (0.44) KDM4EALDH1A1LMNAKMT2AMEN1
SCHEMBL10596654 0.78 THRB (0.39) KDM4EALDH1A1LMNAKMT2AMEN1
SCHEMBL9722681 0.77 KDM4E (0.46) KDM4EALDH1A1LMNAKMT2AMEN1
SCHEMBL6746937 0.77 THRB (0.54) KDM4EALDH1A1KMT2ATDP1TSHR
SCHEMBL5752867 0.77 SMN1; SMN2 (0.54) KDM4EALDH1A1LMNAKMT2AMEN1
SCHEMBL10409151 0.75 ALOX15 (0.58) ALDH1A1LMNAKMT2AMEN1TDP1
SCHEMBL10766331 0.74 KMT2A (0.42) KDM4EALDH1A1LMNAKMT2AMEN1
SCHEMBL10872343 0.74 KDM4E (0.39) KDM4EALDH1A1LMNAKMT2AMEN1

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
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