SCHEMBL9258258

SCHEMBL9258258

CCCOc1ccc(C(C)=O)cc1[N+](=O)[O-]

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.60
THRA P10827 1/20 0.57
THRB P10828 1/20 0.57
PRSS1 P07477 4/20 0.57
LMNA P02545 3/20 0.54
ALDH1A1 P00352 3/20 0.54
PLA2G4B P0C869 1/20 0.53
SMN1; SMN2 Q16637 4/20 0.51
GAA P10253 3/20 0.51
MAPT P10636 3/20 0.50
NPC1 O15118 1/20 0.50
RECQL P46063 1/20 0.50
RAB9A P51151 1/20 0.50
KMT2A Q03164 2/20 0.49
HPGD P15428 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.47

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
SCHEMBL2056251 0.93 THRA (0.62) POLBTHRATHRBPRSS1LMNA
SCHEMBL16958052 0.90 PRSS1 (0.58) POLBTHRATHRBPRSS1LMNA
SCHEMBL177201 0.89 PLA2G4B (0.65) THRATHRBPRSS1PLA2G4BMAPT
SCHEMBL2339687 0.88 POLB (0.73) POLBLMNAALDH1A1SMN1; SMN2GAA
SCHEMBL28941511 0.87 THRA (0.56) POLBTHRATHRBPRSS1LMNA
SCHEMBL3743030 0.86 PRSS1 (0.61) POLBTHRATHRBPRSS1LMNA
SCHEMBL11790540 0.86 ALDH1A1 (0.56) POLBTHRATHRBPRSS1LMNA
SCHEMBL566268 0.86 THRA (0.55) POLBTHRATHRBPRSS1LMNA
SCHEMBL16958893 0.85 PRSS1 (0.53) POLBTHRATHRBPRSS1LMNA
SCHEMBL5913385 0.85 THRA (0.60) POLBTHRATHRBPRSS1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016001452-A1 COMPOUNDS, IN PARTICULAR FOR USE IN THE TREATMENT OF A DISEASE OR CONDITION FOR WHICH A BROMODOMAIN INHIBITOR IS INDICATED Universität Zürich (CH) 2016-01-07 WO disclosed
US-5410064-A Thromboxane A2 antagonists and inhibitors of thromboxane A2 synthase IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1995-04-25 US disclosed