SCHEMBL29316145

SCHEMBL29316145

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 2/20 0.46
MMP12 P39900 1/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MMP2 P08253 5/20 0.45
MMP3 P08254 4/20 0.45
MAPT P10636 2/20 0.44
POLB P06746 2/20 0.44
KDM1A O60341 1/20 0.42
OPRM1 P35372 2/20 0.42
HTR1A P08908 1/20 0.42
DRD4 P21917 1/20 0.42
HTR2A P28223 1/20 0.42
HRH1 P35367 1/20 0.42
ALDH1A1 P00352 1/20 0.41
MMP1 P03956 1/20 0.41
MMP9 P14780 1/20 0.41
ABCB1 P08183 1/20 0.41
HPGD P15428 1/20 0.41
ABCG2 Q9UNQ0 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
SCHEMBL29321879 0.92 TSHR (0.50) MMP13MMP12TSHRHSD17B10MMP2
SCHEMBL9471186 0.91 TSHR (0.52) MMP13MMP12TSHRHSD17B10MMP2
SCHEMBL29316148 0.90 TSHR (0.55) MMP13MMP12TSHRHSD17B10MMP2
SCHEMBL29321910 0.90 TSHR (0.55) MMP13MMP12TSHRHSD17B10MMP2
SCHEMBL10457799 0.88 THRB (0.50) MMP12TSHRMAPTPOLBALDH1A1
SCHEMBL7578689 0.86 MAPT (0.58) MMP13MMP2MMP3MAPTPOLB
SCHEMBL29316157 0.85 TDP1 (0.51) MMP13TSHRMMP2MMP3MAPT
SCHEMBL11921516 0.83 THRB (0.55) TSHRHSD17B10MAPTPOLBALDH1A1
SCHEMBL25123515 0.83 MAPT (0.55) MMP13MMP2MMP3MAPTPOLB
SCHEMBL10035132 0.83 MAPT (0.55) MMP13MMP2MMP3MAPTPOLB

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