SCHEMBL23520516

SCHEMBL23520516

C=C(C)C(=O)OCCOC(=O)c1ccc(Oc2ccc(C(C)(C)c3ccc(Oc4ccc(C(=O)OCCOC(=O)C(=C)C)c(C(=O)O)c4)cc3)cc2)cc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 0.41
▸ POLB P06746 4/20 0.41
▸ HTT P42858 2/20 0.41
▸ APEX1 P27695 1/20 0.41
▸ NPC1 O15118 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ DUSP3 P51452 1/20 0.36
▸ PTPN5 P54829 1/20 0.36
▸ PTPN11 Q06124 1/20 0.36
▸ XDH P47989 1/20 0.35
▸ HPSE Q9Y251 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ KDM4E B2RXH2 4/20 0.33
▸ THRB P10828 1/20 0.33
▸ DHODH Q02127 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MEN1 O00255 1/20 0.33

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
SCHEMBL19795529 0.91 TDP1 (0.48) TDP1POLBHTTAPEX1HPSE
SCHEMBL20061898 0.88 TDP1 (0.46) TDP1POLBHTTAPEX1DUSP3
SCHEMBL14502945 0.86 TDP1 (0.44) TDP1POLBHTTAPEX1ALDH1A1
SCHEMBL20061899 0.86 POLB (0.48) TDP1POLBHTTAPEX1HPSE
SCHEMBL24245300 0.81 POLB (0.45) TDP1POLBHTTAPEX1HPSE
SCHEMBL260857 0.79 POLB (0.58) TDP1POLBAPEX1NPC1CYP2C9
SCHEMBL29401261 0.79 POLB (0.58) TDP1POLBAPEX1NPC1CYP2C9
SCHEMBL17272662 0.78 TDP1 (0.48) TDP1POLBHTTAPEX1DUSP3
SCHEMBL14262472 0.78 POLB (0.38) TDP1POLBHTTAPEX1ALDH1A1
SCHEMBL13132121 0.78 TDP1 (0.44) TDP1POLBHTTAPEX1PTPN11

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
WO-2021117586-A1 PHOTOSENSITIVE INSULATING FILM-FORMING COMPOSITION 日産化学株式会社 2021-06-17 — — WO disclosed
Send feedback