SCHEMBL7102541

SCHEMBL7102541

CCc1cccc2c1C(=O)C(CC(=O)O)(c1ccccc1)C2=O

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.68
PKM P14618 1/20 0.68
SLC6A9 P48067 6/20 0.48
MAPT P10636 2/20 0.46
GAA P10253 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 2/20 0.40
PDK2 Q15119 1/20 0.39
CYP2D6 P10635 1/20 0.37
MEN1 O00255 2/20 0.36
NPSR1 Q6W5P4 1/20 0.35
BRD4 O60885 1/20 0.35
CLCN2 P51788 1/20 0.35
HSD11B1 P28845 1/20 0.35
TSHR P16473 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
SCHEMBL7095821 0.82 KMT2A (1.00) KMT2APKMSLC6A9MAPTGAA
SCHEMBL7100913 0.77 KMT2A (0.58) KMT2APKMSLC6A9MAPTGAA
SCHEMBL1219825 0.72 KMT2A (0.74) KMT2APKMSLC6A9MAPTGAA
SCHEMBL7102535 0.70 ALDH1A1 (0.68) KMT2APKMSLC6A9MAPTGAA
SCHEMBL14592445 0.68 MAPT (0.66) KMT2APKMSLC6A9MAPTGAA
SCHEMBL11412778 0.67 PDK2 (0.44) MAPTGAARAB9ASMN1; SMN2ALDH1A1
SCHEMBL2947342 0.66 CA1 (0.41) KMT2AMAPTGAAALDH1A1PDK2
SCHEMBL347140 0.65 PDK2 (0.40) KMT2AMAPTGAASMN1; SMN2ALDH1A1
SCHEMBL11017672 0.65 GABRA1 (0.52) KMT2AMAPTSMN1; SMN2ALDH1A1PDK2
SCHEMBL11696953 0.65 MAPT (1.00) KMT2APKMSLC6A9MAPTGAA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0764886-B1 Electrophotosensitive material containing a naphthoquinone derivative KYOCERA MITA CORP (JP) 2003-09-03 EP disclosed
US-5994012-A CHARGE GENERATING COMPOUND, CHARGE TRANSFER COMPOUND AND BINDER MITA INDUSTRIAL CO., LTD. (JP) 1999-11-30 US disclosed
US-5863688-A REACTING 1,3-INDANDIONE DERIVATIVE WITH A BROMOACETIC ESTER TO FORM 1,3-INDANDIONE ESTER, ISOMERIZING THE ESTER DERIVATIVE IN PRESENCE OF SODIUM HYDRIDE TO FORM NAPHTHOIC ESTER, OXIDIZING TO FORM NAPHTHOQUINONE DERIVATIVE MITA INDUSTRIAL CO., LTD (JP) 1999-01-26 US disclosed
EP-0764886-A2 Naphthoquinone derivative and electrophotosensitive material using the same MITA INDUSTRIAL CO. LTD. (JP) 1997-03-26 EP disclosed