SCHEMBL17968331

SCHEMBL17968331

C=CC(=O)OC(CC)OS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.37
ALDH1A1 P00352 4/20 0.36
KMT2A Q03164 3/20 0.36
GAA P10253 2/20 0.36
CYP2D6 P10635 2/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
DHODH Q02127 1/20 0.35
ENPP1 P22413 1/20 0.35
STAT3 P40763 1/20 0.34
LMNA P02545 2/20 0.33
TLR9 Q9NR96 1/20 0.33
MAPK1 P28482 1/20 0.33
GFER P55789 1/20 0.33
RECQL P46063 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL9798119 0.90 CA2 (0.39) NPSR1ALDH1A1KMT2AGAACYP2D6
SCHEMBL6686680 0.83 LMNA (0.40) ALDH1A1KMT2AGAAMEN1DHODH
SCHEMBL9350900 0.82 NPSR1 (0.40) NPSR1ALDH1A1KMT2AGAACYP2D6
SCHEMBL890842 0.81 GAA (0.45) ALDH1A1KMT2AGAAMEN1CYP3A4
SCHEMBL6299178 0.81 NPSR1 (0.36) NPSR1ALDH1A1KMT2AGAACYP2D6
SCHEMBL10033248 0.76 TSHR (0.49) NPSR1ALDH1A1KMT2AGAACYP2D6
SCHEMBL8378760 0.75 ALDH1A1 (0.40) ALDH1A1KMT2AGAACYP2D6MEN1
SCHEMBL8166319 0.75 TSHR (0.36) ALDH1A1CYP3A4HSD17B10
SCHEMBL21905435 0.75 TSHR (0.36) ALDH1A1CYP3A4HSD17B10
SCHEMBL7470090 0.75 ALDH1A1 (0.47) NPSR1ALDH1A1KMT2AGAACYP2D6

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-10040905-B2 Benzoxazine polymerization 3M INNOVATIVE PROPERTIES COMPANY (US) 2018-08-07 US disclosed
US-20160229957-A1 BENZOXAZINE POLYMERIZATION 3M INNOVATIVE PROPERTIES COMPANY 2016-08-11 US disclosed