SCHEMBL9638326

SCHEMBL9638326

C=CCOCCCCCOCC

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
POLB P06746 1/20 0.48
ALDH1A1 P00352 2/20 0.35
TSHR P16473 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
THRB P10828 1/20 0.32
HTT P42858 1/20 0.32
MAPT P10636 1/20 0.32
PLA2G2C Q5R387 1/20 0.32
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA9 Q16790 1/20 0.31
CES2 O00748 1/20 0.30
CA7 P43166 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
SCHEMBL4255583 0.93 MEN1 (0.50) MEN1KMT2APOLBALDH1A1TSHR
SCHEMBL1922610 0.87
SCHEMBL828009 0.87 POLB (0.46) MEN1KMT2APOLBALDH1A1TSHR
SCHEMBL827865 0.87 POLB (0.46) MEN1KMT2APOLBALDH1A1TSHR
SCHEMBL472092 0.87 POLB (0.46) MEN1KMT2APOLBALDH1A1TSHR
SCHEMBL472148 0.87 POLB (0.46) MEN1KMT2APOLBALDH1A1TSHR
SCHEMBL6599871 0.87 POLB (0.46) MEN1KMT2APOLBALDH1A1TSHR
SCHEMBL469931 0.87 POLB (0.46) MEN1KMT2APOLBALDH1A1TSHR
SCHEMBL472069 0.87 POLB (0.46) MEN1KMT2APOLBALDH1A1TSHR
SCHEMBL2187231 0.86 MEN1 (0.48) MEN1KMT2APOLBALDH1A1TSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0345846-B1 PROCESS FOR THE PREPARATION OF SURFACTANTS SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1992-08-26 EP disclosed
EP-0345846-A1 Process for the preparation of surfactants SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1989-12-13 EP disclosed