SCHEMBL22176451

SCHEMBL22176451

COC(=O)c1cc(Oc2ccc3c(c2)C(=O)OC3=O)ccc1C=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.43
KDM4E B2RXH2 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA7 P43166 1/20 0.39
ALDH1A1 P00352 2/20 0.37
HDAC8 Q9BY41 3/20 0.37
POLB P06746 2/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
RAB9A P51151 1/20 0.36
PIM1 P11309 1/20 0.36
PIM3 Q86V86 1/20 0.36
TRIM24 O15164 1/20 0.35
TYR P14679 1/20 0.35
TRIM33 Q9UPN9 1/20 0.35

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
SCHEMBL18537723 0.99 CA2 (0.42) CA2KDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL18807680 0.98 CA2 (0.42) CA2KDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL22919810 0.91 CA2 (0.38) CA2KDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL12164207 0.86 CA2 (0.46) CA2KDM4ECA12CA1CA7
SCHEMBL23601820 0.85 TRIM24 (0.46) CA2KDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL20344349 0.85 ERN1 (0.43) CA2KDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL24110827 0.83 MEN1 (0.33) CA2KDM4ECYP1A2CYP2D6CYP2C9
SCHEMBL14530973 0.82 CA12 (0.46) CA2KDM4ECA12CA1CA7
SCHEMBL24063953 0.81 ALDH1A1 (0.47) CA2KDM4ECA12CA1CA7
SCHEMBL24110697 0.80 KDM4E (0.34) CA2KDM4ECYP1A2CYP2D6CYP2C9

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
EP-3705541-A1 THREE-DIMENSIONAL PRINTING INK COMPRISING PHTHALONITRILE OLIGOMERS LG CHEM, LTD. (KR) 2020-09-09 EP disclosed
WO-2020138360-A1 IMIDE-(AMIC ACID) COPOLYMER AND METHOD FOR PRODUCING SAME, VARNISH, AND POLYIMIDE FILM 三菱瓦斯化学株式会社 2020-07-02 WO disclosed