SCHEMBL29316126

SCHEMBL29316126

C=CC(=O)OCCCOC(=O)Oc1ccc(-c2ccc(C#N)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 8/20 0.46
MMP3 P08254 7/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
MMP1 P03956 1/20 0.43
MMP9 P14780 1/20 0.43
MMP13 P45452 1/20 0.43
THRB P10828 1/20 0.42
TSHR P16473 2/20 0.41
HPGD P15428 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
HRH2 P25021 1/20 0.40
HRH1 P35367 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
MGLL Q99685 2/20 0.40

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
SCHEMBL12734114 0.97 MMP3 (0.47) MMP2MMP3HDAC1HDAC2MMP1
SCHEMBL29316130 0.96 HDAC1 (0.48) MMP2MMP3HDAC1HDAC2MMP1
SCHEMBL29321808 0.96 HDAC1 (0.48) MMP2MMP3HDAC1HDAC2MMP1
SCHEMBL29321770 0.95 MMP2 (0.48) MMP2MMP3HDAC1HDAC2MMP1
SCHEMBL12348085 0.94 TSHR (0.47) MMP2MMP3HDAC1HDAC2MMP1
SCHEMBL12734117 0.91 MMP3 (0.42) MMP2MMP3HDAC1HDAC2MMP1
SCHEMBL4331061 0.90 MMP2 (0.57) MMP2MMP3HDAC1HDAC2MMP1
SCHEMBL12404406 0.87 MMP2 (0.45) MMP2MMP3HDAC1HDAC2MMP1
SCHEMBL5961806 0.87 MMP3 (0.58) MMP2MMP3HDAC1HDAC2MMP1
SCHEMBL12734113 0.87 ALDH1A1 (0.41) THRBTSHRHPGDALDH1A1CYP3A4

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