SCHEMBL6576227

SCHEMBL6576227

O=C(CC(=O)c1ccccc1)Sc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.53
CES2 O00748 1/20 0.53
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
POLB P06746 3/20 0.50
RAB9A P51151 2/20 0.50
NPC1 O15118 1/20 0.50
MITF O75030 1/20 0.50
MAPT P10636 4/20 0.49
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 2/20 0.49
USP2 O75604 1/20 0.49
ALOX5 P09917 1/20 0.49
HSD11B1 P28845 1/20 0.49
GSK3B P49841 1/20 0.47
LTA4H P09960 1/20 0.47
PLA2G2A P14555 1/20 0.47
MAPK1 P28482 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
CYP3A4 P08684 1/20 0.46

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
SCHEMBL6575965 0.87 CES2 (0.51) CES1CES2MEN1KMT2APOLB
SCHEMBL6578278 0.86 MAPT (0.55) CES1CES2MEN1KMT2APOLB
SCHEMBL9207986 0.82 CES1 (0.70) CES1CES2MEN1KMT2APOLB
SCHEMBL9787226 0.79 MAPT (0.64) CES1CES2MEN1KMT2ARAB9A
SCHEMBL4477185 0.76 CES1 (0.70) CES1CES2MEN1KMT2APOLB
SCHEMBL11510574 0.75 GSK3B (0.71) CES1CES2MEN1KMT2APOLB
SCHEMBL14407609 0.75 KMT2A (0.69) CES1CES2MEN1KMT2APOLB
SCHEMBL7208394 0.74 GSK3B (0.65) CES1CES2MEN1KMT2APOLB
SCHEMBL21445736 0.73 TDP1 (0.55) CES1CES2MEN1KMT2APOLB
SCHEMBL4319309 0.73 CES2 (0.61) CES1CES2MEN1KMT2APOLB

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-0870762-B1 NOVEL AMINO ACID DERIVATIVES HAVING N,N-DIALKYLAMINOPHENYL GROUP SANTEN PHARMACEUTICAL CO LTD (JP) 2004-04-28 EP disclosed
US-5872281-A COMPOUNDS FOR TREATMENT OF RHEUMATIC DISEASES, PSORIASIS, INTESTINAL INFLAMATION SANTEN PHARMACEUTICAL CO., LTD. (JP) 1999-02-16 US disclosed
EP-0870762-A1 NOVEL AMINO ACID DERIVATIVES HAVING N,N-DIALKYLAMINOPHENYL GROUP SANTEN PHARMACEUTICAL CO., LTD. (JP) 1998-10-14 EP disclosed