SCHEMBL29316148

SCHEMBL29316148

C=C(C)C(=O)OCCCCCCc1ccc(-c2ccc(C#N)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.55
HSD17B10 Q99714 1/20 0.55
POLB P06746 2/20 0.48
APEX1 P27695 1/20 0.48
HTT P42858 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
MMP12 P39900 1/20 0.42
MMP13 P45452 1/20 0.42
MMP3 P08254 2/20 0.41
MMP2 P08253 2/20 0.41
MAPT P10636 2/20 0.41
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
HTR1A P08908 1/20 0.39
DRD4 P21917 1/20 0.39
HTR2A P28223 1/20 0.39
HRH1 P35367 1/20 0.39
OPRM1 P35372 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
SCHEMBL29321910 1.00 TSHR (0.55) TSHRHSD17B10POLBAPEX1HTT
SCHEMBL9471186 0.99 TSHR (0.52) TSHRHSD17B10POLBAPEX1HTT
SCHEMBL29321879 0.95 TSHR (0.50) TSHRHSD17B10POLBAPEX1HTT
SCHEMBL29316145 0.90 MMP13 (0.46) TSHRHSD17B10POLBAPEX1HTT
SCHEMBL2468868 0.87 HTT (0.64) TSHRPOLBAPEX1HTTTDP1
SCHEMBL953146 0.87 HTT (0.64) TSHRPOLBAPEX1HTTTDP1
SCHEMBL14275377 0.86 POLB (0.61) TSHRPOLBAPEX1HTTTDP1
SCHEMBL14302532 0.85 POLB (0.46) TSHRHSD17B10POLBAPEX1HTT
SCHEMBL29316163 0.85 TDP1 (0.54) TSHRPOLBAPEX1HTTTDP1
SCHEMBL29322031 0.85 TDP1 (0.54) TSHRPOLBAPEX1HTTTDP1

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