SCHEMBL7787638

SCHEMBL7787638

CCOc1ccc(C(=O)c2cccc([N+](=O)[O-])c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.64
MAPK1 P28482 2/20 0.64
NPSR1 Q6W5P4 2/20 0.64
KDM4E B2RXH2 1/20 0.64
POLB P06746 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
LMNA P02545 3/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
MAOB P27338 2/20 0.56
MAOA P21397 1/20 0.56
ALDH1A1 P00352 4/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CES2 O00748 1/20 0.53
CES1 P23141 1/20 0.53
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
TP53 P04637 1/20 0.51
ATM Q13315 1/20 0.51
RAB9A P51151 2/20 0.51
TSHR P16473 2/20 0.50

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
SCHEMBL7785177 0.90 MAOA (0.54) MAPTMAPK1NPSR1KDM4EPOLB
SCHEMBL18541656 0.86 MAOB (0.56) MAPTMAPK1NPSR1KDM4EPOLB
SCHEMBL11068311 0.86 MEN1 (0.57) MAPTMAPK1NPSR1KDM4EPOLB
SCHEMBL4470153 0.85 MAPT (0.67) MAPTMAPK1NPSR1LMNAL3MBTL1
SCHEMBL31067505 0.85 MAPT (0.67) MAPTMAPK1NPSR1LMNAL3MBTL1
SCHEMBL10939515 0.84 SRD5A2 (0.63) MAPTKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL7789171 0.81 MEN1 (0.55) MAPTLMNAALDH1A1SMN1; SMN2CES2
SCHEMBL11003334 0.81 LMNA (0.78) MAPTMAPK1NPSR1KDM4ELMNA
SCHEMBL3234327 0.81 CES2 (0.68) MAPTMAPK1POLBTDP1LMNA
SCHEMBL181572 0.81 CES2 (0.78) MAPTPOLBLMNAALDH1A1CES2

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
US-6329405-B1 AS ILEAL BILE ACID TRANSPORTER INHIBITOR, FOR THERAPY OF HYPERLIPEMIA SANKYO COMPANY, LIMITED (JP) 2001-12-11 US disclosed
CN-1287117-A Cyclobutene derivatives, preparation method and therapeutic use thereof SANKYO CO (JP) 2001-03-14 CN disclosed
EP-1070703-A1 Cyclobutene derivatives Sankyo Company Limited (JP) 2001-01-24 EP disclosed