SCHEMBL19569871

SCHEMBL19569871

C=C(C)C(=O)OCc1cc(-c2ccc(S(=O)(=O)c3ccc(-c4ccc(OC)c(COC(=O)C(=C)C)c4)cc3)cc2)ccc1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
KMT2A Q03164 3/20 0.45
TSHR P16473 3/20 0.40
POLB P06746 2/20 0.40
MAPK1 P28482 2/20 0.40
PKM P14618 2/20 0.40
MAPT P10636 3/20 0.36
ADRB2 P07550 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
MMP12 P39900 1/20 0.36
MMP13 P45452 1/20 0.36
MMP14 P50281 1/20 0.36
MMP16 P51512 1/20 0.36
ALOX5 P09917 1/20 0.36
MAPK10 P53779 1/20 0.36
MEN1 O00255 1/20 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
SCHEMBL19564846 0.94 ALDH1A1 (0.41) ALDH1A1KMT2ATSHRPOLBMAPK1
SCHEMBL812217 0.90 ALDH1A1 (0.39) ALDH1A1KMT2ATSHRPOLBMAPK1
SCHEMBL24756135 0.88 GAA (0.40) ALDH1A1KMT2ATSHRPOLBMAPK1
SCHEMBL812232 0.88 ALDH1A1 (0.38) ALDH1A1KMT2ATSHRPOLBMAPK1
SCHEMBL16822709 0.86 KMT2A (0.37) ALDH1A1KMT2ATSHRPOLBMAPK1
SCHEMBL16843139 0.86 ALDH1A1 (0.37) ALDH1A1KMT2ATSHRPOLBMAPK1
SCHEMBL822715 0.85 ALDH1A1 (0.36) ALDH1A1KMT2ATSHRPOLBMAPK1
SCHEMBL16843134 0.83 ALDH1A1 (0.35) ALDH1A1KMT2ATSHRPOLBMAPK1
SCHEMBL15562858 0.82 ALDH1A1 (0.35) ALDH1A1KMT2ATSHRPOLBMAPK1
SCHEMBL16822661 0.82 ALDH1A1 (0.35) ALDH1A1KMT2ATSHRPOLBMAPK1

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-10370474-B2 Optical composition, cured product, and optical element CANON KABUSHIKI KAISHA (JP) 2019-08-06 US disclosed
US-20170320984-A1 OPTICAL COMPOSITION, CURED PRODUCT, AND OPTICAL ELEMENT CANON KABUSHIKI KAISHA (JP) 2017-11-09 US disclosed