SCHEMBL29315936

SCHEMBL29315936

C=CC(=O)OCCCCOC(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.60
ALDH1A1 P00352 3/20 0.51
TSHR P16473 2/20 0.51
CYP3A4 P08684 1/20 0.51
KDM4E B2RXH2 1/20 0.51
THRB P10828 1/20 0.51
SLC1A5 Q15758 1/20 0.48
CNR2 P34972 1/20 0.46
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.44
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
PDCD1 Q15116 1/20 0.43
CD274 Q9NZQ7 1/20 0.43
NPY1R P25929 1/20 0.43
NPY2R P49146 1/20 0.43
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL27812822 0.99 TDP1 (0.58) TDP1ALDH1A1TSHRCYP3A4KDM4E
SCHEMBL29315939 0.99 TDP1 (0.58) TDP1ALDH1A1TSHRCYP3A4KDM4E
SCHEMBL29315934 0.97 TDP1 (0.56) TDP1ALDH1A1TSHRCYP3A4KDM4E
SCHEMBL6283580 0.94 THRB (0.58) TDP1ALDH1A1TSHRKDM4ETHRB
SCHEMBL17695235 0.94 TSHR (0.58) TDP1ALDH1A1TSHRCYP3A4KDM4E
SCHEMBL24196595 0.92 TDP1 (0.51) TDP1ALDH1A1TSHRCYP3A4KDM4E
SCHEMBL433209 0.91 TDP1 (0.73) TDP1ALDH1A1TSHRCYP3A4THRB
SCHEMBL9647800 0.89 TDP1 (0.71) TDP1ALDH1A1TSHRCYP3A4THRB
SCHEMBL8729392 0.89 TDP1 (0.71) TDP1ALDH1A1TSHRCYP3A4THRB
SCHEMBL888081 0.89 TDP1 (0.71) TDP1ALDH1A1TSHRCYP3A4THRB

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