SCHEMBL6577988

SCHEMBL6577988

C=CCOCc1c(Br)cc(C)cc1Br

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL18092255 0.81 KMT2A (0.33) MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL17802094 0.76
SCHEMBL25355870 0.74
SCHEMBL26361501 0.73 MEN1 (0.35) MEN1KMT2AALDH1A1
SCHEMBL6578128 0.73 LMNA (0.47) KDM4EMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL2928218 0.71 MAOA (0.43) MEN1KMT2AALDH1A1
SCHEMBL6580294 0.69 ALDH1A1 (0.36) KDM4EMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL5086988 0.69 MAPT (0.47) KDM4EMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL4795602 0.68 ALDH1A1 (0.42) MEN1KMT2AALDH1A1HPGDLMNA
SCHEMBL22504871 0.68 SLC5A1 (0.34) HPGD

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 1 patent. 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