SCHEMBL15965459

SCHEMBL15965459

COCCN(CCO)CCOCCO

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
MAPK1 P28482 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 2/20 0.37
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
HSD17B10 Q99714 1/20 0.34
THRB P10828 1/20 0.34
HTT P42858 1/20 0.34
MAPT P10636 1/20 0.34
PIK3CD O00329 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
SCHEMBL10960986 0.96 TSHR (0.48) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL15965456 0.94 MEN1 (0.46) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL15965446 0.94 MEN1 (0.46) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL22996250 0.93 BLM (0.40) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL10963187 0.93 MEN1 (0.50) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL10961005 0.93 MEN1 (0.50) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL10960898 0.89 MEN1 (0.50) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL19344639 0.89 BLM (0.40) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL10961389 0.89 MEN1 (0.50) TSHRMAPK1MEN1KMT2AALDH1A1
SCHEMBL10962338 0.89 MEN1 (0.50) TSHRMAPK1MEN1KMT2AALDH1A1

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