SCHEMBL29316079

SCHEMBL29316079

C=CC(=O)OCCCCc1ccc(-c2ccc(C#N)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.50
HSD17B10 Q99714 2/20 0.50
ALDH1A1 P00352 3/20 0.46
CYP3A4 P08684 1/20 0.46
MMP13 P45452 2/20 0.44
MMP12 P39900 1/20 0.44
THRB P10828 2/20 0.44
MMP3 P08254 3/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
MMP2 P08253 4/20 0.42
HTR1A P08908 1/20 0.41
DRD4 P21917 1/20 0.41
HTR2A P28223 1/20 0.41
HRH1 P35367 1/20 0.41
OPRM1 P35372 1/20 0.41
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 2/20 0.40
ABCB1 P08183 1/20 0.39

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
SCHEMBL29321466 0.99 TSHR (0.52) TSHRHSD17B10ALDH1A1CYP3A4MMP13
SCHEMBL13220802 0.99 TSHR (0.52) TSHRHSD17B10ALDH1A1CYP3A4MMP13
SCHEMBL2619036 0.99 TSHR (0.52) TSHRHSD17B10ALDH1A1CYP3A4MMP13
SCHEMBL21389608 0.99 TSHR (0.52) TSHRHSD17B10ALDH1A1CYP3A4MMP13
SCHEMBL29321446 0.96 TSHR (0.48) TSHRHSD17B10ALDH1A1CYP3A4MMP13
SCHEMBL29316074 0.91 MMP13 (0.47) TSHRHSD17B10ALDH1A1MMP13MMP12
SCHEMBL21242234 0.87 TSHR (0.61) TSHRHSD17B10ALDH1A1CYP3A4THRB
SCHEMBL21242530 0.87 TSHR (0.61) TSHRHSD17B10ALDH1A1CYP3A4THRB
SCHEMBL13506252 0.87 TSHR (0.61) TSHRHSD17B10ALDH1A1CYP3A4THRB
SCHEMBL5961806 0.86 MMP3 (0.58) TSHRALDH1A1CYP3A4MMP13THRB

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