SCHEMBL5207629

SCHEMBL5207629

Cc1cc(O)c(C(=O)Cc2ccc([N+](=O)[O-])cc2)c(=O)o1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.65
GAA P10253 1/20 0.65
PKM P14618 1/20 0.65
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
ALDH1A1 P00352 2/20 0.56
POLB P06746 3/20 0.51
RECQL P46063 2/20 0.51
USP2 O75604 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
ELANE P08246 2/20 0.49
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
LMNA P02545 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 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
SCHEMBL5202614 0.86 MAPT (0.59) MAPTGAAPKMMEN1KMT2A
Hydrochloric Acid SCHEMBL5207751 0.82 ELANE (0.51) MAPTGAAPKMMEN1KMT2A
SCHEMBL7961868 0.76 ELANE (0.51) MAPTGAAPKMMEN1KMT2A
SCHEMBL5207698 0.76 MAPT (0.60) MAPTGAAMEN1KMT2ASMN1; SMN2
SCHEMBL11790630 0.76 PIK3CD (0.51) MAPTGAAMEN1KMT2ASMN1; SMN2
SCHEMBL7950033 0.75 ELANE (0.56) MAPTGAAPKMMEN1KMT2A
SCHEMBL28493755 0.75 MAPT (0.77) MAPTGAAPKMMEN1KMT2A
SCHEMBL5207705 0.75 MAPT (0.77) MAPTGAAPKMMEN1KMT2A
SCHEMBL28420567 0.74 ALDH1A1 (0.65) MAPTGAAPKMMEN1KMT2A
Hydrochloric Acid SCHEMBL5207453 0.73 ELANE (0.48) MAPTGAAPKMMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0980867-B1 KETONE DERIVATIVES AND MEDICINAL USE THEREOF TORAY INDUSTRIES (JP) 2007-08-08 EP disclosed
CN-1114602-C Ketone derivatives and medicinal use thereof TORAY INDUSTRIES (JP) 2003-07-16 CN disclosed
US-6100292-A Ketone derivatives and their medical applications TORAY INDUSTRIES, INC. (JP) 2000-08-08 US disclosed
EP-0980867-A1 KETONE DERIVATIVES AND MEDICINAL USE THEREOF TORAY INDUSTRIES, INC. (JP) 2000-02-23 EP disclosed
CN-1242771-A Ketone derivatives and medicinal use thereof TORAY INDUSTRIES (JP) 2000-01-26 CN disclosed