SCHEMBL29316130

SCHEMBL29316130

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

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
TSHR P16473 2/20 0.46
ALDH1A1 P00352 2/20 0.46
CYP3A4 P08684 1/20 0.46
MMP3 P08254 6/20 0.46
MMP2 P08253 8/20 0.45
MMP1 P03956 1/20 0.42
MMP9 P14780 1/20 0.42
MMP13 P45452 1/20 0.42
THRB P10828 1/20 0.41
MGLL Q99685 2/20 0.40
HPGD P15428 1/20 0.40
HRH2 P25021 1/20 0.39
HRH1 P35367 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
MAPT P10636 1/20 0.37

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
SCHEMBL29321808 1.00 HDAC1 (0.48) HDAC1HDAC2TSHRALDH1A1CYP3A4
SCHEMBL12734114 0.99 MMP3 (0.47) HDAC1HDAC2TSHRALDH1A1CYP3A4
SCHEMBL29316126 0.96 MMP2 (0.46) HDAC1HDAC2TSHRALDH1A1CYP3A4
SCHEMBL12348085 0.95 TSHR (0.47) HDAC1HDAC2TSHRALDH1A1CYP3A4
SCHEMBL29321770 0.94 MMP2 (0.48) HDAC1HDAC2TSHRALDH1A1MMP3
SCHEMBL12734117 0.92 MMP3 (0.42) HDAC1HDAC2TSHRALDH1A1CYP3A4
SCHEMBL7590582 0.90 HDAC1 (0.59) HDAC1HDAC2TSHRALDH1A1CYP3A4
SCHEMBL8939366 0.90 HDAC1 (0.59) HDAC1HDAC2TSHRALDH1A1CYP3A4
SCHEMBL8939373 0.90 HDAC1 (0.59) HDAC1HDAC2TSHRALDH1A1CYP3A4
SCHEMBL8939360 0.90 HDAC1 (0.59) HDAC1HDAC2TSHRALDH1A1CYP3A4

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