SCHEMBL5207698

SCHEMBL5207698

C=C(C(=O)c1c(O)cc(C)oc1=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.60
ALDH1A1 P00352 5/20 0.60
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
RECQL P46063 2/20 0.50
USP2 O75604 1/20 0.50
POLB P06746 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
LMNA P02545 2/20 0.44
HTT P42858 2/20 0.44
CES1 P23141 1/20 0.43
HSPD1 P10809 1/20 0.41
HSPE1 P61604 1/20 0.41
GAA P10253 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL5207629 0.76 MAPT (0.65) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL5207705 0.74 MAPT (0.77) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL28493755 0.74 MAPT (0.77) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL28420567 0.73 ALDH1A1 (0.65) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL5202614 0.68 MAPT (0.59) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL28337082 0.68 CES1 (0.77) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL762542 0.68 CES1 (0.77) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL11790630 0.68 PIK3CD (0.51) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL10463319 0.67 MEN1 (0.63) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL819944 0.66 TDP1 (0.64) ALDH1A1MEN1KMT2APOLBLMNA

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 3 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
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