SCHEMBL23448985

SCHEMBL23448985

C=CC(=O)OCCNC(=C)OC

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.48
HPGD P15428 1/20 0.48
ALDH1A1 P00352 5/20 0.48
TP53 P04637 3/20 0.48
HIF1A Q16665 3/20 0.48
CYP3A4 P08684 2/20 0.48
HSD17B10 Q99714 1/20 0.48
THRB P10828 2/20 0.41
MAPK1 P28482 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ZDHHC20 Q5W0Z9 1/20 0.31
ZDHHC2 Q9UIJ5 1/20 0.31
ATM Q13315 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL24822764 0.83 TSHR (0.50) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL10081623 0.83 TSHR (0.50) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL23448982 0.83 TSHR (0.44) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL2721018 0.81 TSHR (0.52) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL5663537 0.80 TSHR (0.56) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL25437489 0.80 TSHR (0.47) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL7625560 0.80 TSHR (0.52) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL30537436 0.80 TSHR (0.47) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL22648037 0.79 TSHR (0.43) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL12570601 0.79 TSHR (0.54) TSHRHPGDALDH1A1TP53HIF1A

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
WO-2021108191-A1 AROMATIC SUBSTITUTED ALKANE-CORE MONOMERS AND POLYMERS THEREOF FOR VOLUME BRAGG GRATINGS FACEBOOK TECHNOLOGIES, LLC (US) 2021-06-03 WO disclosed