SCHEMBL9713432

SCHEMBL9713432

Oc1ccccc1OCc1ccc(OCCCCc2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.57
EPHX2 P34913 1/20 0.57
FFAR1 O14842 3/20 0.57
APP P05067 1/20 0.55
BCHE P06276 2/20 0.51
S1PR1 P21453 3/20 0.50
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
PTGS1 P23219 1/20 0.50
SLC6A2 P23975 1/20 0.50
CYP2C19 P33261 1/20 0.50
PTGS2 P35354 1/20 0.50
SLC6A3 Q01959 1/20 0.50
HIF1A Q16665 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
S1PR3 Q99500 1/20 0.49
S1PR5 Q9H228 1/20 0.49
MGLL Q99685 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL1837148 0.85 JAK2 (0.62) FFAR1LMNA
SCHEMBL1836657 0.83 JAK2 (0.60) FFAR1LMNA
SCHEMBL1836365 0.83 JAK2 (0.60) FFAR1LMNA
SCHEMBL1836648 0.83 JAK2 (0.60) FFAR1LMNA
SCHEMBL1839016 0.83 JAK2 (0.60) FFAR1LMNA
SCHEMBL1838169 0.83 JAK2 (0.60) FFAR1LMNA
SCHEMBL9713562 0.82 FFAR1 (0.64) LTA4HEPHX2FFAR1S1PR1S1PR3
SCHEMBL1837149 0.81 FFAR1 (0.66) LTA4HEPHX2FFAR1S1PR1LMNA
SCHEMBL130119 0.81 APP (0.72) LTA4HAPPLMNACYP1A2PTGS1
SCHEMBL995189 0.80 LMNA (0.53) APPLMNACYP1A2PTGS1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5140046-A Slow reacting substance of anaphylaxis antagonists YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1992-08-18 US disclosed
US-5116853-A SRS-Antagonist, Antiallergens MASE TOSHIYASU (JP) 1992-05-26 US disclosed
US-4994479-A Antagonists of SRS-A(slow reacting substance of anaphylaxis); antiallergens, antiischemic agents YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1991-02-19 US disclosed
EP-0218728-A1 PHENYLENE DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1987-04-22 EP disclosed
WO-1986005779-A1 PHENYLENE DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1986-10-09 WO disclosed