SCHEMBL29315438

SCHEMBL29315438

C=CC(=O)OCCCCCOc1ccccc1-c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.58
GAA P10253 2/20 0.58
KDM4E B2RXH2 11/20 0.54
HTT P42858 3/20 0.54
ALDH1A1 P00352 8/20 0.53
CYP3A4 P08684 1/20 0.53
TSHR P16473 1/20 0.53
THRB P10828 1/20 0.52
POLB P06746 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MEN1 O00255 2/20 0.50
ADRB2 P07550 1/20 0.50
ADRB1 P08588 1/20 0.50
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.50
USP2 O75604 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
PKM P14618 1/20 0.48

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
SCHEMBL1947089 1.00 KMT2A (0.58) KMT2AGAAKDM4EHTTALDH1A1
SCHEMBL27463502 1.00 KMT2A (0.58) KMT2AGAAKDM4EHTTALDH1A1
SCHEMBL27352690 1.00 KMT2A (0.58) KMT2AGAAKDM4EHTTALDH1A1
SCHEMBL27037040 1.00 KMT2A (0.58) KMT2AGAAKDM4EHTTALDH1A1
SCHEMBL17723354 0.99 KMT2A (0.60) KMT2AGAAKDM4EHTTALDH1A1
SCHEMBL10709553 0.96 KMT2A (0.56) KMT2AGAAKDM4EHTTALDH1A1
SCHEMBL25123653 0.92 USP2 (0.54) KMT2AGAAKDM4EHTTALDH1A1
SCHEMBL534826 0.92 THRB (0.63) KMT2AGAAKDM4EHTTALDH1A1
SCHEMBL29613033 0.92 THRB (0.63) KMT2AGAAKDM4EHTTALDH1A1
SCHEMBL17826220 0.89 KMT2A (0.55) KMT2AGAAKDM4EHTTALDH1A1

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