SCHEMBL29316163

SCHEMBL29316163

C=C(C)C(=O)OCCCCCCOC(=O)c1ccc(-c2ccc(C#N)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.54
POLB P06746 1/20 0.54
APEX1 P27695 1/20 0.54
HTT P42858 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.48
TSHR P16473 4/20 0.46
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
ADRB3 P13945 1/20 0.43
KMT2A Q03164 1/20 0.42
MMP3 P08254 2/20 0.41
MMP2 P08253 2/20 0.41
LMNA P02545 1/20 0.40
ESR1 P03372 1/20 0.40

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
SCHEMBL29322031 1.00 TDP1 (0.54) TDP1POLBAPEX1HTTL3MBTL1
SCHEMBL29316160 0.99 TDP1 (0.52) TDP1POLBAPEX1HTTL3MBTL1
SCHEMBL29322010 0.96 TDP1 (0.49) TDP1POLBAPEX1HTTL3MBTL1
SCHEMBL29316157 0.94 TDP1 (0.51) TDP1POLBAPEX1HTTL3MBTL1
SCHEMBL13756115 0.90 TDP1 (0.51) TDP1POLBAPEX1HTTL3MBTL1
SCHEMBL709455 0.89 POLB (0.60) TDP1POLBAPEX1HTTALDH1A1
SCHEMBL2468868 0.87 HTT (0.64) TDP1POLBAPEX1HTTL3MBTL1
SCHEMBL953146 0.87 HTT (0.64) TDP1POLBAPEX1HTTL3MBTL1
SCHEMBL14275377 0.86 POLB (0.61) TDP1POLBAPEX1HTTTSHR
SCHEMBL29316148 0.85 TSHR (0.55) TDP1POLBAPEX1HTTTSHR

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