SCHEMBL9727665

SCHEMBL9727665

CC1(C)c2cc(OCc3ccccc3)c(CCCOc3ccccc3)cc2OC1CC(=O)c1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.38
AKR1B1 P15121 1/20 0.37
PTGER1 P34995 3/20 0.35
HIF1A Q16665 2/20 0.35
MTNR1B P49286 2/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
PTGER4 P35408 1/20 0.35
PTGER3 P43115 1/20 0.35
PTGER2 P43116 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MTNR1A P48039 1/20 0.35
NR4A2 P43354 1/20 0.34

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
SCHEMBL9727464 0.85 KDM4E (0.36) L3MBTL1AKR1B1MEN1KMT2A
SCHEMBL9727331 0.80 MTNR1A (0.37) AKR1B1PTGER1HIF1AMTNR1BPTGER4
SCHEMBL9727653 0.77 ABCB1 (0.38) PTGER1MTNR1BPTGER4PTGER3PTGER2
SCHEMBL9727668 0.74 TDP1 (0.36) L3MBTL1PTGDR2TAAR1
SCHEMBL9727633 0.68 LTA4H (0.38) AKR1B1PTGER1MTNR1BPTGER4PTGER3
SCHEMBL9727700 0.67 MTNR1A (0.35) L3MBTL1AKR1B1PTGER1MTNR1BPTGER4
SCHEMBL9727458 0.66 PTGER1 (0.47) PTGER1PTGER4PTGER3PTGER2NR4A2
SCHEMBL9727777 0.65 AKR1B1 (0.35) AKR1B1KMT2A
SCHEMBL9727691 0.63 MTNR1B (0.42) MTNR1BMEN1KMT2A
SCHEMBL8677570 0.62 PTGER1 (0.57) PTGER1MTNR1BMRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5091533-A Treating allergies, cardiovascular disorders, inflammation MERCK FROSST CANADA, INC. (CA) 1992-02-25 US disclosed
EP-0447189-A1 5-Hydroxy-2,3-dihydrobenzofuran analogs as leukotriene biosynthesis inhibitors MERCK FROSST CANADA INC. (CA) 1991-09-18 EP disclosed