SCHEMBL29322010

SCHEMBL29322010

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
POLB P06746 1/20 0.49
APEX1 P27695 1/20 0.49
HTT P42858 1/20 0.49
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
ADRB3 P13945 1/20 0.43
KMT2A Q03164 1/20 0.43
MMP2 P08253 2/20 0.42
MMP3 P08254 2/20 0.42
TSHR P16473 5/20 0.41
LMNA P02545 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
ESR1 P03372 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPK1 P28482 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
SCHEMBL29316160 0.97 TDP1 (0.52) TDP1L3MBTL1POLBAPEX1HTT
SCHEMBL29316163 0.96 TDP1 (0.54) TDP1L3MBTL1POLBAPEX1HTT
SCHEMBL29322031 0.96 TDP1 (0.54) TDP1L3MBTL1POLBAPEX1HTT
SCHEMBL29316157 0.95 TDP1 (0.51) TDP1L3MBTL1POLBAPEX1HTT
SCHEMBL13756115 0.91 TDP1 (0.51) TDP1L3MBTL1POLBAPEX1HTT
SCHEMBL29316150 0.87 POLB (0.58) TDP1POLBAPEX1HTTALDH1A1
SCHEMBL709455 0.85 POLB (0.60) TDP1POLBAPEX1HTTALDH1A1
SCHEMBL7102222 0.85 TDP1 (0.59) TDP1POLBAPEX1HTTALDH1A1
SCHEMBL14275377 0.84 POLB (0.61) TDP1POLBAPEX1HTTALDH1A1
SCHEMBL29316020 0.84 TDP1 (0.54) TDP1POLBAPEX1HTTMAPT

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 1 patent. 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