SCHEMBL9699124

SCHEMBL9699124

CCCCCCCCCCCCOc1cccc(O)c1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
NR1I2 O75469 1/20 0.47
LMNA P02545 1/20 0.47
CHRM2 P08172 1/20 0.47
CYP3A4 P08684 1/20 0.47
ADRA2A P08913 1/20 0.47
MAPT P10636 1/20 0.47
OPRK1 P41145 1/20 0.47
HTR2B P41595 1/20 0.47
SLC6A3 Q01959 1/20 0.47
KMT2A Q03164 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
CYP19A1 P11511 4/20 0.45
GPR35 Q9HC97 1/20 0.45
CNR1 P21554 5/20 0.45
CNR2 P34972 5/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
PTPN1 P18031 1/20 0.43
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43

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
SCHEMBL9698600 1.00 MEN1 (0.47) MEN1NR1I2LMNACHRM2CYP3A4
SCHEMBL23851492 0.90 GPR35 (0.49) MEN1LMNAMAPTKMT2ACYP19A1
SCHEMBL16143752 0.84 ALDH1A1 (0.51) MEN1NR1I2LMNACHRM2CYP3A4
SCHEMBL3931562 0.83 MEN1 (0.55) MEN1NR1I2LMNACHRM2CYP3A4
SCHEMBL27765514 0.83 GPR35 (0.51) MEN1LMNAMAPTKMT2AGPR35
SCHEMBL9416503 0.82 NPC1 (0.54) MEN1LMNAMAPTKMT2ACYP19A1
Nitrophenolate SCHEMBL15923356 0.81 NPC1 (0.60) MEN1NR1I2LMNACHRM2CYP3A4
SCHEMBL28310966 0.81 MAPT (0.48) MEN1NR1I2LMNACHRM2CYP3A4
SCHEMBL5587927 0.78 LMNA (0.53) MEN1NR1I2LMNACHRM2CYP3A4
SCHEMBL10608059 0.78 LMNA (0.53) MEN1NR1I2LMNACHRM2CYP3A4

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