SCHEMBL15965462

SCHEMBL15965462

CN(CCOCCO)CCOCCOCCO

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
TSHR P16473 2/20 0.53
MAPK1 P28482 1/20 0.53
LMNA P02545 1/20 0.46
ALDH1A1 P00352 3/20 0.45
MAPT P10636 2/20 0.44
THRB P10828 1/20 0.44
HTT P42858 1/20 0.44
KDM4E B2RXH2 1/20 0.44
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
APP P05067 2/20 0.37
SLC6A4 P31645 3/20 0.35
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL24343853 1.00 MEN1 (0.58) MEN1KMT2ATSHRMAPK1LMNA
SCHEMBL17598907 0.97 TSHR (0.56) MEN1KMT2ATSHRMAPK1LMNA
SCHEMBL9828694 0.97 TSHR (0.56) MEN1KMT2ATSHRMAPK1LMNA
SCHEMBL8061825 0.95 TSHR (0.53) MEN1KMT2ATSHRMAPK1LMNA
SCHEMBL8324832 0.92 TSHR (0.50) MEN1KMT2ATSHRMAPK1LMNA
SCHEMBL14029328 0.91 MEN1 (0.48) MEN1KMT2ATSHRMAPK1LMNA
SCHEMBL18306258 0.91 MEN1 (0.48) MEN1KMT2ATSHRMAPK1LMNA
SCHEMBL10609160 0.88 TSHR (0.50) MEN1KMT2ATSHRMAPK1LMNA
SCHEMBL8324661 0.88 TSHR (0.46) MEN1KMT2ATSHRMAPK1LMNA
SCHEMBL15508708 0.88 ALDH1A1 (0.64) MEN1KMT2ATSHRMAPK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9520569-B2 Aryl compounds for application in a highly polar solvent SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-12-13 US disclosed
US-9520569-B2 Aryl compounds for application in a highly polar solvent SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-12-13 US disclosed
US-20140231717-A1 COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-08-21 US disclosed
US-20140231717-A1 COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2014-08-21 US disclosed