SCHEMBL29316074

SCHEMBL29316074

C=CC(=O)OCCc1ccc(-c2ccc(C#N)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 2/20 0.47
MMP12 P39900 1/20 0.47
THRB P10828 2/20 0.47
MMP2 P08253 5/20 0.44
TSHR P16473 3/20 0.43
HSD17B10 Q99714 2/20 0.43
OPRM1 P35372 2/20 0.43
HTR1A P08908 1/20 0.43
DRD4 P21917 1/20 0.43
HTR2A P28223 1/20 0.43
HRH1 P35367 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
ALDH1A1 P00352 2/20 0.42
TP53 P04637 2/20 0.42
HIF1A Q16665 2/20 0.42
MMP3 P08254 5/20 0.42
MMP1 P03956 1/20 0.42
MMP9 P14780 1/20 0.42
ABCB1 P08183 1/20 0.41

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
SCHEMBL27582698 0.96 THRB (0.50) MMP13MMP12THRBTSHRHSD17B10
SCHEMBL29321446 0.92 TSHR (0.48) MMP13MMP12THRBMMP2TSHR
SCHEMBL29316079 0.91 TSHR (0.50) MMP13MMP12THRBMMP2TSHR
SCHEMBL2619036 0.89 TSHR (0.52) MMP13MMP12THRBMMP2TSHR
SCHEMBL29321466 0.89 TSHR (0.52) MMP13MMP12THRBMMP2TSHR
SCHEMBL13220802 0.89 TSHR (0.52) MMP13MMP12THRBMMP2TSHR
SCHEMBL21389608 0.89 TSHR (0.52) MMP13MMP12THRBMMP2TSHR
SCHEMBL12032270 0.88 TSHR (0.53) THRBTSHRHSD17B10ALDH1A1TP53
SCHEMBL471107 0.86 THRB (0.61) MMP13THRBMMP2HRH1POLB
SCHEMBL12154697 0.85 THRB (0.55) MMP13THRBMMP2HRH1POLB

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-20240239934-A1 FUMARIC ACID DIESTER RESIN, FILM AND POLARIZING PLATE TOSOH CORPORATION (JP) 2024-07-18 US disclosed
US-20240239934-A1 FUMARIC ACID DIESTER RESIN, FILM AND POLARIZING PLATE TOSOH CORPORATION (JP) 2024-07-18 US disclosed