SCHEMBL9699710

SCHEMBL9699710

CCCCCCCCCCOc1cc(O)c(CCCCCC)cc1CCCCCC

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 3/20 0.55
LTB4R2 Q9NPC1 3/20 0.55
ALOX5 P09917 5/20 0.51
TSHR P16473 2/20 0.51
MEN1 O00255 1/20 0.51
TP53 P04637 1/20 0.51
CYP3A4 P08684 1/20 0.51
MAPT P10636 1/20 0.51
TYR P14679 1/20 0.51
ALOX15 P16050 1/20 0.51
HTT P42858 1/20 0.51
KMT2A Q03164 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
NR1H4 Q96RI1 2/20 0.51
CNR2 P34972 6/20 0.49
CNR1 P21554 5/20 0.47
PTGS2 P35354 3/20 0.46

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
SCHEMBL11331625 0.86 HTR2A (0.51) ALOX5TSHRMEN1MAPTHTT
SCHEMBL11237619 0.86 HTR2A (0.51) ALOX5TSHRMEN1MAPTHTT
SCHEMBL15532718 0.82 ALOX5 (0.66) ALOX5TSHRMEN1TP53CYP3A4
SCHEMBL20357443 0.82 ALOX5 (0.66) ALOX5TSHRMEN1TP53CYP3A4
SCHEMBL8053988 0.81 ALOX5 (0.49) ALOX5TSHRMEN1TP53CYP3A4
SCHEMBL11871738 0.80 SMPD1 (0.55) LTB4RLTB4R2ALOX5MEN1CYP3A4
SCHEMBL15868713 0.80 ALOX5 (0.63) ALOX5TSHRMEN1TP53CYP3A4
SCHEMBL15868714 0.80 ALOX5 (0.63) ALOX5TSHRMEN1TP53CYP3A4
SCHEMBL4879945 0.80 ALOX5 (0.68) ALOX5TSHRMEN1TP53CYP3A4
SCHEMBL2348704 0.80 ALOX5 (0.68) ALOX5TSHRMEN1TP53CYP3A4

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