SCHEMBL29315467

SCHEMBL29315467

C=CC(=O)OCCCCOC(=O)Oc1ccccc1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
GAA P10253 2/20 0.47
THRB P10828 1/20 0.47
ALDH1A1 P00352 6/20 0.46
TSHR P16473 2/20 0.46
CYP3A4 P08684 1/20 0.46
HTT P42858 1/20 0.43
KDM4E B2RXH2 8/20 0.43
ELANE P08246 1/20 0.42
USP2 O75604 1/20 0.40
LMNA P02545 2/20 0.40
POLB P06746 2/20 0.40
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 1/20 0.40
FABP7 O15540 1/20 0.39
FABP3 P05413 1/20 0.39
FABP5 Q01469 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
SCHEMBL29315469 0.99 ALDH1A1 (0.49) KMT2AGAATHRBALDH1A1TSHR
SCHEMBL29315471 0.99 ALDH1A1 (0.49) KMT2AGAATHRBALDH1A1TSHR
SCHEMBL29315465 0.97 THRB (0.47) KMT2AGAATHRBALDH1A1TSHR
SCHEMBL29315464 0.95 THRB (0.52) KMT2AGAATHRBALDH1A1TSHR
SCHEMBL17723354 0.88 KMT2A (0.60) KMT2AGAATHRBALDH1A1TSHR
SCHEMBL29315452 0.87 KMT2A (0.46) KMT2AGAATHRBALDH1A1TSHR
SCHEMBL29315438 0.86 KMT2A (0.58) KMT2AGAATHRBALDH1A1TSHR
SCHEMBL27037040 0.86 KMT2A (0.58) KMT2AGAATHRBALDH1A1TSHR
SCHEMBL1947089 0.86 KMT2A (0.58) KMT2AGAATHRBALDH1A1TSHR
SCHEMBL27352690 0.86 KMT2A (0.58) KMT2AGAATHRBALDH1A1TSHR

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