SCHEMBL9972114

SCHEMBL9972114

CC(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)OCCO

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
TSHR P16473 2/20 0.46
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
THRB P10828 1/20 0.40
HTT P42858 1/20 0.40
MAPT P10636 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL13522676 1.00 MEN1 (0.50) MEN1KMT2ATSHRMAPK1TDP1
SCHEMBL14370702 0.95 MEN1 (0.50) MEN1KMT2ATSHRMAPK1TDP1
SCHEMBL19000741 0.95 MEN1 (0.50) MEN1KMT2ATSHRMAPK1TDP1
SCHEMBL18346638 0.95 MEN1 (0.50) MEN1KMT2ATSHRMAPK1TDP1
SCHEMBL13309557 0.95 TDP1 (0.48) MEN1KMT2ATSHRMAPK1TDP1
SCHEMBL94032 0.95 TDP1 (0.48) MEN1KMT2ATSHRMAPK1TDP1
SCHEMBL17614754 0.91 TDP1 (0.47) MEN1KMT2ATSHRMAPK1TDP1
SCHEMBL30946742 0.91 TDP1 (0.47) MEN1KMT2ATSHRMAPK1TDP1
SCHEMBL30946744 0.91 TDP1 (0.47) MEN1KMT2ATSHRMAPK1TDP1
SCHEMBL30946745 0.91 TDP1 (0.47) MEN1KMT2ATSHRMAPK1TDP1

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
US-8377464-B2 Polymerizable surfactants and their use as device forming comonomers BAUSCH & LOMB INCORPORATED (US) 2013-02-19 US disclosed
US-20120157565-A1 Polymerizable Surfactants and Their Use as Device Forming Comonomers BAUSCH HEALTH US, LLC 2012-06-21 US disclosed