SCHEMBL29316374

SCHEMBL29316374

C=CC(=O)OCCCCOC(=O)c1ccccc1C(=O)OCCOS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.45
CYP3A4 P08684 4/20 0.45
MAPK1 P28482 2/20 0.45
TP53 P04637 1/20 0.45
ALDH1A1 P00352 5/20 0.44
LMNA P02545 2/20 0.44
TDP1 Q9NUW8 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
THRB P10828 1/20 0.40
PSMD10 O75832 1/20 0.38
FKBP1A P62942 1/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GAA P10253 1/20 0.37
HPGD P15428 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
SCHEMBL29316380 0.97 LMNA (0.44) TSHRCYP3A4MAPK1TP53ALDH1A1
SCHEMBL1933322 0.87 TSHR (0.49) TSHRCYP3A4TP53ALDH1A1LMNA
SCHEMBL4594786 0.87 THRB (0.44) TSHRCYP3A4TP53ALDH1A1THRB
SCHEMBL26977459 0.87 TSHR (0.53) TSHRCYP3A4MAPK1TP53ALDH1A1
SCHEMBL29316353 0.86 TSHR (0.51) TSHRCYP3A4TP53ALDH1A1LMNA
SCHEMBL13332086 0.84 TSHR (0.45) TSHRCYP3A4TP53ALDH1A1LMNA
SCHEMBL12285575 0.83 ALDH1A1 (0.51) TSHRCYP3A4TP53ALDH1A1THRB
SCHEMBL5968386 0.83 ALDH1A1 (0.51) TSHRCYP3A4TP53ALDH1A1THRB
SCHEMBL27134336 0.82 TSHR (0.48) TSHRCYP3A4MAPK1TP53ALDH1A1
SCHEMBL7115632 0.80 TSHR (0.62) TSHRCYP3A4MAPK1TP53ALDH1A1

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