SCHEMBL29315934

SCHEMBL29315934

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.56
KDM4E B2RXH2 1/20 0.51
THRB P10828 1/20 0.51
SLC1A5 Q15758 1/20 0.48
TSHR P16473 3/20 0.47
ALDH1A1 P00352 2/20 0.47
CYP3A4 P08684 1/20 0.47
LMNA P02545 2/20 0.45
HPGD P15428 1/20 0.44
ESR1 P03372 2/20 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
CNR2 P34972 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 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
SCHEMBL29315936 0.97 TDP1 (0.60) TDP1KDM4ETHRBSLC1A5TSHR
SCHEMBL27812822 0.96 TDP1 (0.58) TDP1KDM4ETHRBSLC1A5TSHR
SCHEMBL29315939 0.96 TDP1 (0.58) TDP1KDM4ETHRBSLC1A5TSHR
SCHEMBL6283580 0.94 THRB (0.58) TDP1KDM4ETHRBSLC1A5TSHR
SCHEMBL17695235 0.91 TSHR (0.58) TDP1KDM4ETHRBTSHRALDH1A1
SCHEMBL434675 0.91 TDP1 (0.68) TDP1THRBTSHRALDH1A1CYP3A4
SCHEMBL24196595 0.90 TDP1 (0.51) TDP1KDM4ETHRBSLC1A5TSHR
SCHEMBL433209 0.88 TDP1 (0.73) TDP1THRBTSHRALDH1A1CYP3A4
SCHEMBL9647800 0.86 TDP1 (0.71) TDP1THRBTSHRALDH1A1CYP3A4
SCHEMBL8729392 0.86 TDP1 (0.71) TDP1THRBTSHRALDH1A1CYP3A4

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