SCHEMBL29316375

SCHEMBL29316375

C=CC(=O)OCCCCOC(=O)c1ccccc1C(=O)OCCO

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 10/20 0.58
CYP3A4 P08684 4/20 0.55
MAPK1 P28482 2/20 0.55
TP53 P04637 1/20 0.55
ALDH1A1 P00352 7/20 0.54
LMNA P02545 1/20 0.54
TDP1 Q9NUW8 4/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
THRB P10828 1/20 0.49
HPGD P15428 1/20 0.45
HSD17B10 Q99714 3/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL301415 0.94 TSHR (0.61) TSHRCYP3A4MAPK1TP53ALDH1A1
SCHEMBL29906120 0.94 TSHR (0.61) TSHRCYP3A4MAPK1TP53ALDH1A1
SCHEMBL7115632 0.94 TSHR (0.62) TSHRCYP3A4MAPK1TP53ALDH1A1
SCHEMBL8158959 0.92 TSHR (0.63) TSHRCYP3A4MAPK1TP53ALDH1A1
SCHEMBL6295377 0.91 TSHR (0.53) TSHRCYP3A4MAPK1TP53ALDH1A1
SCHEMBL1110904 0.91 TSHR (0.59) TSHRCYP3A4MAPK1TP53ALDH1A1
SCHEMBL29401268 0.88 TSHR (0.55) TSHRCYP3A4MAPK1TP53ALDH1A1
SCHEMBL7115629 0.88 TSHR (0.55) TSHRCYP3A4MAPK1TP53ALDH1A1
SCHEMBL228020 0.87 THRB (0.62) TSHRCYP3A4MAPK1TP53ALDH1A1
SCHEMBL12181905 0.87 TSHR (0.58) 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