SCHEMBL7529002

SCHEMBL7529002

C=C(C)C(=O)OCCOc1ccccc1.C=C(CCc1ccccc1)C(=O)OC1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.41
POLB P06746 1/20 0.41
APEX1 P27695 1/20 0.41
HTT P42858 1/20 0.41
FFAR1 O14842 4/20 0.40
THRB P10828 1/20 0.38
KMT2A Q03164 4/20 0.38
KDM4E B2RXH2 3/20 0.38
MEN1 O00255 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 1/20 0.38
ALOX5 P09917 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
HPGD P15428 1/20 0.37
PKM P14618 1/20 0.37
EPHX2 P34913 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
FOXM1 Q08050 1/20 0.36

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
SCHEMBL7521253 0.91 TDP1 (0.42) TDP1POLBAPEX1HTTTHRB
SCHEMBL7523926 0.85 TDP1 (0.49) TDP1POLBAPEX1HTTSMN1; SMN2
SCHEMBL7251881 0.83 POLB (0.36) TDP1POLBAPEX1HTTTHRB
SCHEMBL6364229 0.81 L3MBTL1 (0.44) TDP1KDM4ESMN1; SMN2ALDH1A1TAAR1
SCHEMBL21371 0.78 TDP1 (0.61) TDP1POLBAPEX1HTTTHRB
SCHEMBL28331865 0.76 TDP1 (0.60) TDP1POLBAPEX1HTTTHRB
SCHEMBL18106792 0.76 POLB (0.53) TDP1POLBAPEX1HTTFFAR1
SCHEMBL7526587 0.75 RAB9A (0.37) THRBKMT2AMEN1SMN1; SMN2ALDH1A1
Methacrylic Acid SCHEMBL17911799 0.75 TDP1 (0.58) TDP1POLBAPEX1HTTTHRB
SCHEMBL7116762 0.75 ALDH1A1 (0.46) KMT2AMEN1ALDH1A1EPHX2

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-20020039701-A1 Resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2002-04-04 US disclosed