SCHEMBL9699807

SCHEMBL9699807

CCCCCCCCCCCCCCOc1c(O)cccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
KMT2A Q03164 3/20 0.45
GPR35 Q9HC97 2/20 0.45
PLA2G4B P0C869 1/20 0.45
RECQL P46063 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MAPT P10636 3/20 0.43
LMNA P02545 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MEN1 O00255 2/20 0.42
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 2/20 0.42
TRPV1 Q8NER1 1/20 0.41
HTT P42858 1/20 0.41
ATM Q13315 1/20 0.41
NR5A1 Q13285 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
Nitrophenolate SCHEMBL15923356 0.83 NPC1 (0.60) L3MBTL1THRATHRBKMT2ARECQL
SCHEMBL16861184 0.83 GPR35 (0.51) L3MBTL1KMT2AGPR35RECQLNPC1
SCHEMBL17817616 0.82 ESR1 (0.47) ESR1L3MBTL1THRATHRBKMT2A
SCHEMBL10387780 0.82 ESR1 (0.50) ESR1L3MBTL1THRATHRBKMT2A
Nitrophenolate SCHEMBL7601509 0.81 ESR1 (0.49) ESR1L3MBTL1THRATHRBKMT2A
SCHEMBL8977411 0.81 MAPT (0.47) L3MBTL1THRATHRBKMT2APLA2G4B
SCHEMBL27544915 0.81 NR5A1 (0.53) KMT2AMAPTLMNAMEN1ALDH1A1
SCHEMBL17817064 0.80 L3MBTL1 (0.43) ESR1L3MBTL1THRATHRBKMT2A
SCHEMBL8581954 0.79 NPC1 (0.72) L3MBTL1THRATHRBKMT2ARECQL
SCHEMBL18012379 0.79 NPC1 (0.72) L3MBTL1THRATHRBKMT2ARECQL

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-5147864-A Bronchodilator agent, antianaphylactic agent, antishock agent, cardiotonic agent and anticarcinogenic agent AMERICAN CYANAMID COMPANY (US) 1992-09-15 US disclosed
US-4983592-A Bis-arylphosphate ester antagonists of platelet activating factor AMERICAN CYANAMID CO. (US) 1991-01-08 US disclosed
EP-0374513-A2 Novel bis-arylphosphate ester antagonists of platelet activating factor AMERICAN CYANAMID COMPANY (US) 1990-06-27 EP disclosed