SCHEMBL9698367

SCHEMBL9698367

CCCCCCCCCCCCCCOc1cc(O)ccc1CCC

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 0.62
CNR1 P21554 8/20 0.62
ALOX5 P09917 3/20 0.54
TYR P14679 2/20 0.54
TSHR P16473 2/20 0.54
MEN1 O00255 1/20 0.54
TP53 P04637 1/20 0.54
CYP3A4 P08684 1/20 0.54
MAPT P10636 1/20 0.54
ALOX15 P16050 1/20 0.54
HTT P42858 1/20 0.54
KMT2A Q03164 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
NR5A1 Q13285 1/20 0.53
LTA4H P09960 1/20 0.46
PTGS2 P35354 2/20 0.45

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
SCHEMBL8139885 0.88 CNR2 (0.49) CNR2CNR1ALOX5TYRTSHR
SCHEMBL4115449 0.83 CNR2 (0.72) CNR2CNR1ALOX5TYRTSHR
SCHEMBL4108174 0.83 CNR2 (0.72) CNR2CNR1ALOX5TYRTSHR
SCHEMBL4113024 0.83 CNR2 (0.72) CNR2CNR1ALOX5TYRTSHR
SCHEMBL29111141 0.83 CNR2 (0.54) CNR2CNR1ALOX5TYRTSHR
SCHEMBL4449940 0.83 TYR (0.46) CNR2CNR1ALOX5TYRTSHR
SCHEMBL14557522 0.81 SMPD1 (0.60) CNR2CNR1ALOX5TYRTSHR
SCHEMBL11329254 0.81 SMPD1 (0.60) CNR2CNR1ALOX5TYRTSHR
SCHEMBL27696658 0.81 TYR (0.54) CNR2CNR1ALOX5TYRTSHR
SCHEMBL8147933 0.80 TYR (0.61) CNR2CNR1ALOX5TYRTSHR

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