SCHEMBL6037610

SCHEMBL6037610

C=CC(=O)OCCC.CC(=CC(C)C)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.50
HPGD P15428 1/20 0.50
HCAR2 Q8TDS4 4/20 0.42
ALDH1A1 P00352 4/20 0.42
TP53 P04637 3/20 0.42
HIF1A Q16665 3/20 0.42
CYP3A4 P08684 2/20 0.42
HSD17B10 Q99714 1/20 0.42
THRB P10828 3/20 0.40
ATM Q13315 1/20 0.33
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 1/20 0.30
APP P05067 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
SCHEMBL9768544 0.81 TSHR (0.63) TSHRHPGDHCAR2ALDH1A1TP53
Methacrylic Acid SCHEMBL10949902 0.80 TSHR (0.60) TSHRHPGDHCAR2ALDH1A1TP53
Chloromethane SCHEMBL8216104 0.79 TSHR (0.69) TSHRHPGDHCAR2ALDH1A1TP53
SCHEMBL14982 0.79
SCHEMBL30074662 0.79 TSHR (0.75) TSHRHPGDHCAR2ALDH1A1TP53
SCHEMBL29179736 0.78 TSHR (0.62) TSHRHPGDHCAR2ALDH1A1TP53
SCHEMBL27349920 0.77 TSHR (0.67) TSHRHPGDHCAR2ALDH1A1TP53
Acrylic Acid SCHEMBL1368610 0.77 TSHR (0.67) TSHRHPGDHCAR2ALDH1A1TP53
Acrylic Acid SCHEMBL27896375 0.77 TSHR (0.67) TSHRHPGDHCAR2ALDH1A1TP53
SCHEMBL27631259 0.77 TSHR (0.67) TSHRHPGDHCAR2ALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7015186-B2 Perfume composition UNILEVER HOME & PERSONAL CARE USA A DIVISION OF CONOPCO, INC. (US) 2006-03-21 US claimed