SCHEMBL4799847

SCHEMBL4799847

C=CCOC(=O)c1cccc([N+](=O)[O-])c1N

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
TSHR P16473 2/20 0.57
HSD17B10 Q99714 1/20 0.57
CYP3A4 P08684 1/20 0.56
CTSD P07339 1/20 0.42
RAB9A P51151 5/20 0.42
NPC1 O15118 3/20 0.42
LMNA P02545 3/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
GLA P06280 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
THRB P10828 1/20 0.37

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
SCHEMBL4288671 0.86 CYP3A4 (0.68) ALDH1A1TSHRHSD17B10CYP3A4CTSD
SCHEMBL27266429 0.85 CYP3A4 (0.58) ALDH1A1TSHRHSD17B10CYP3A4CTSD
SCHEMBL8788585 0.85 CYP3A4 (0.58) ALDH1A1TSHRHSD17B10CYP3A4CTSD
SCHEMBL11757412 0.85 CYP3A4 (0.58) ALDH1A1TSHRHSD17B10CYP3A4CTSD
SCHEMBL8041829 0.84 CYP3A4 (0.73) ALDH1A1TSHRHSD17B10CYP3A4LMNA
SCHEMBL11767742 0.84 CYP3A4 (0.56) ALDH1A1TSHRHSD17B10CYP3A4RAB9A
SCHEMBL2983592 0.84 CYP3A4 (0.56) ALDH1A1TSHRHSD17B10CYP3A4CTSD
SCHEMBL8788034 0.83 CYP3A4 (0.55) ALDH1A1TSHRHSD17B10CYP3A4CTSD
SCHEMBL4728649 0.82 ALDH1A1 (0.54) ALDH1A1TSHRHSD17B10CTSDRAB9A
SCHEMBL1399045 0.82 CYP3A4 (0.54) ALDH1A1TSHRHSD17B10CYP3A4CTSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008012852-A1 INTERMEDIATE COMPOUNDS FOR THE PREPARATION OF ANGIOTENSIN II ANTAGONISTS S.I.M.S. S.r.l. - SOCIETÀ ITALIANA MEDICINALI SCANDICCI (IT) 2008-01-31 WO claimed
EP-1778650-A1 PROCESS FOR PREPARING CANDESARTAN CILEXETIL Dr. Reddy's Laboratories Ltd. (IN) 2007-05-02 EP claimed
WO-2006015134-A1 PROCESS FOR PREPARING CANDESARTAN CILEXETIL DR. REDDY'S LABORATORIES LTD. (IN) 2006-02-09 WO claimed
WO-2008012852-A1 INTERMEDIATE COMPOUNDS FOR THE PREPARATION OF ANGIOTENSIN II ANTAGONISTS S.I.M.S. S.r.l. - SOCIETÀ ITALIANA MEDICINALI SCANDICCI (IT) 2008-01-31 WO disclosed
EP-1778650-A1 PROCESS FOR PREPARING CANDESARTAN CILEXETIL Dr. Reddy's Laboratories Ltd. (IN) 2007-05-02 EP disclosed
WO-2006015134-A1 PROCESS FOR PREPARING CANDESARTAN CILEXETIL DR. REDDY'S LABORATORIES LTD. (IN) 2006-02-09 WO disclosed