SCHEMBL2356006

SCHEMBL2356006

C=C(C)C(=O)OCCCCCCCCCCCC.C=COC(=O)C=CN1CCCC1=O

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
PRKCA P17252 2/20 0.36
HTT P42858 3/20 0.35
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HCAR2 Q8TDS4 2/20 0.33
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
HPGD P15428 1/20 0.31
NAAA Q02083 2/20 0.31
THRB P10828 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
SCHEMBL28459161 0.85 TSHR (0.57) TSHRPRKCAHTTPOLBAPEX1
Methacrylic Acid SCHEMBL17823491 0.82 TSHR (0.53) TSHRPRKCAHTTPOLBAPEX1
Acrylic Acid SCHEMBL6129067 0.81 TSHR (0.52) TSHRPRKCAHTTPOLBAPEX1
SCHEMBL28333123 0.81 TSHR (0.55) TSHRPRKCAHTTPOLBAPEX1
Methacrylic Acid SCHEMBL10598884 0.81 TSHR (0.51) TSHRPRKCAHTTPOLBAPEX1
SCHEMBL10598332 0.81 TSHR (0.49) TSHRPRKCAHTTPOLBAPEX1
Methacrylic Acid SCHEMBL17667146 0.80 KMT2A (0.32)
SCHEMBL28206911 0.79 TSHR (0.43) TSHRHTTPOLBAPEX1TDP1
SCHEMBL1177989 0.79 TSHR (0.34) TSHR
SCHEMBL28206912 0.79 TSHR (0.42) TSHRHTTPOLBAPEX1TDP1

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-20110189113-A1 Water-Resistant, Rub-Resistant, Sprayable Homogeneous Sunscreen Composition AVOCA LLC 2011-08-04 US disclosed
WO-2009023662-A2 WATER-RESISTANT, RUB-RESISTANT, SPRAYABLE, HOMOGENEOUS SUNSCREEN COMPOSITION ISP INVESTMENTS INC. (US) 2009-02-19 WO disclosed