SCHEMBL8934685

SCHEMBL8934685

C=C(c1ccccc1)C(OCC)OOC1CCCCO1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SLC6A3 Q01959 2/20 0.34
KDM4C Q9H3R0 1/20 0.32
HPGD P15428 1/20 0.32
CREBBP Q92793 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
EP300 Q09472 1/20 0.31
PTPN1 P18031 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PER2 O15055 1/20 0.30
CRY1 Q16526 1/20 0.30
CRY2 Q49AN0 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
SCHEMBL8934663 0.72 MAPT (0.44) MEN1KMT2AHPGDALDH1A1
SCHEMBL8934746 0.71 ALDH1A1 (0.40) MEN1KMT2ATDP1ALDH1A1
SCHEMBL8934675 0.69 ITGB1 (0.31)
SCHEMBL8934678 0.69
SCHEMBL13742047 0.69 MEN1 (0.46) MEN1KMT2ASLC6A3KDM4CHPGD
SCHEMBL8934676 0.68 MAPT (0.41) MEN1KMT2AHPGDALDH1A1
SCHEMBL8934751 0.68 ALDH1A1 (0.34) MEN1KMT2AHPGDTDP1ALDH1A1
SCHEMBL8934683 0.66 ALDH1A1 (0.31) ALDH1A1
SCHEMBL5570406 0.66 SLC6A3 (0.49) MEN1KMT2ASLC6A3HPGDTDP1
SCHEMBL14438434 0.66 SLC6A3 (0.49) MEN1KMT2ASLC6A3HPGDTDP1

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
WO-1996030415-A1 ALKOXY ALLYL (DI)PEROXIDE CHAIN TRANSFER AGENTS AKZO NOBEL N.V. (NL) 1996-10-03 WO disclosed