SCHEMBL29316353

SCHEMBL29316353

C=CC(=O)OCCCCCCOS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.51
ALDH1A1 P00352 5/20 0.51
CYP3A4 P08684 1/20 0.51
HPGD P15428 1/20 0.44
PSMD10 O75832 1/20 0.40
STAT3 P40763 2/20 0.40
THRB P10828 1/20 0.38
CYP24A1 Q07973 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
TP53 P04637 2/20 0.37
HIF1A Q16665 2/20 0.37
HSD17B10 Q99714 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA9 Q16790 1/20 0.36
FKBP1A P62942 1/20 0.36
CYP2D6 P10635 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
SIRT5 Q9NXA8 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL1933322 0.99 TSHR (0.49) TSHRALDH1A1CYP3A4HPGDPSMD10
SCHEMBL13332086 0.96 TSHR (0.45) TSHRALDH1A1CYP3A4HPGDPSMD10
SCHEMBL4594786 0.90 THRB (0.44) TSHRALDH1A1CYP3A4HPGDPSMD10
SCHEMBL5968386 0.86 ALDH1A1 (0.51) TSHRALDH1A1CYP3A4HPGDPSMD10
SCHEMBL12285575 0.86 ALDH1A1 (0.51) TSHRALDH1A1CYP3A4HPGDPSMD10
SCHEMBL17653991 0.86 PSMD10 (0.43) TSHRALDH1A1CYP3A4HPGDPSMD10
SCHEMBL5694125 0.85 TSHR (0.49) TSHRALDH1A1CYP3A4HPGDTHRB
SCHEMBL7274496 0.83 ALDH1A1 (0.41) ALDH1A1PSMD10STAT3CYP24A1CA12
SCHEMBL7274499 0.83 ALDH1A1 (0.41) ALDH1A1PSMD10STAT3CYP24A1CA12
SCHEMBL28013354 0.83 STAT3 (0.43) ALDH1A1STAT3NPSR1HSD17B10CYP2D6

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 1 patent. 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