SCHEMBL109139

SCHEMBL109139

C=CC(=O)OCCCCCN(C)CC

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.63
ALDH1A1 P00352 3/20 0.63
CYP3A4 P08684 1/20 0.63
HPGD P15428 1/20 0.58
TP53 P04637 2/20 0.44
HIF1A Q16665 2/20 0.44
HSD17B10 Q99714 1/20 0.44
THRB P10828 1/20 0.41
HCAR2 Q8TDS4 2/20 0.40
ATM Q13315 1/20 0.39
ABCB1 P08183 4/20 0.38
ABCC1 P33527 4/20 0.38
ABCG2 Q9UNQ0 4/20 0.38
KDM5A P29375 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
LSS P48449 4/20 0.36

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
SCHEMBL11310743 1.00 TSHR (0.63) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL109239 0.98 TSHR (0.60) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL111639 0.93 TSHR (0.61) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL111381 0.86 TSHR (0.55) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL109001 0.85 TSHR (0.66) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL7921669 0.85 TSHR (0.66) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL499597 0.85 TSHR (0.66) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL499684 0.85 TSHR (0.66) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL11674288 0.85 TSHR (0.66) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL500592 0.85 TSHR (0.66) TSHRALDH1A1CYP3A4HPGDTP53

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-2424491-A2 FILM FORMER IN HAIR DYES Henkel AG & Co. KGaA (DE) 2012-03-07 EP disclosed
WO-2010124897-A2 FILM FORMER IN HAIR DYES HENKEL AG & CO. KGAA (DE) 2010-11-04 WO disclosed