SCHEMBL9635504

SCHEMBL9635504

O=C(CO)c1cc(Cl)ccc1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.62
CA2 P00918 1/20 0.62
LMNA P02545 4/20 0.60
HTT P42858 4/20 0.60
MAPT P10636 4/20 0.60
MEN1 O00255 3/20 0.60
HPGD P15428 3/20 0.60
KMT2A Q03164 3/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
NPSR1 Q6W5P4 2/20 0.60
RAB9A P51151 2/20 0.60
NPC1 O15118 1/20 0.60
USP2 O75604 1/20 0.60
TP53 P04637 1/20 0.60
ALOX15 P16050 1/20 0.60
MAPK1 P28482 1/20 0.60
HSD17B10 Q99714 1/20 0.60
KDM4E B2RXH2 2/20 0.57
KCNH2 Q12809 2/20 0.57
PLA2G1B P04054 1/20 0.57

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
SCHEMBL1154685 0.84 MAPK1 (0.63) CA1CA2LMNAHTTMAPT
SCHEMBL11804367 0.84 CA1 (0.62) CA1CA2LMNAHTTMAPT
SCHEMBL30207813 0.82 CA1 (0.60) CA1CA2LMNAHTTMAPT
SCHEMBL19667457 0.82 CA1 (0.60) CA1CA2LMNAHTTMAPT
SCHEMBL30207963 0.82 CA1 (0.60) CA1CA2LMNAHTTMAPT
SCHEMBL2070612 0.82 CA1 (0.60) CA1CA2LMNAHTTMAPT
SCHEMBL3278152 0.82 CA1 (0.60) CA1CA2LMNAHTTMAPT
SCHEMBL4449153 0.82 ERCC5 (0.62) CA1CA2LMNAMAPTMEN1
SCHEMBL14706719 0.79 LMNA (0.65) CA1CA2LMNAHTTMAPT
SCHEMBL2935246 0.79 CA1 (0.61) CA1CA2LMNAHTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5087638-A Inhibitors of mammalian leukotriene biosynthesis MERCK FROSST CANADA, INC. (CA) 1992-02-11 US disclosed
US-5082849-A Antiinflammatory agents or antiallergens AVENTIS PHARMACEUTICALS INC. 1992-01-21 US disclosed
EP-0434827-A4 QUINOLINYL-BENZOPYRAN DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D 4? 1992-01-08 EP disclosed
EP-0434827-A1 QUINOLINYL-BENZOPYRAN DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D 4? RORER INTERNATIONAL (HOLDINGS), INC. (US) 1991-07-03 EP disclosed
WO-1991001123-A2 QUINOLINYL-BENZOPYRAN DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D¿4? RORER INTERNATIONAL (OVERSEAS) INC. (US) 1991-02-07 WO disclosed
US-4977162-A Quinolinyl-chromone derivatives and use for treatment of hypersensitive ailments RORER PHARMACEUTICAL CORPORATION (US) 1990-12-11 US disclosed
EP-0338782-A1 Benzofuran derivatives MERCK FROSST CANADA INC. (CA) 1989-10-25 EP disclosed
US-4863958-A TREATING ALLERGIC CONDITIONS, ASTHMA, CARDIOVASCULAR DISORDERS, AND INFLAMMATION MERCK FROSST CANADA, INC. (CA) 1989-09-05 US disclosed
EP-0165810-B1 BENZOFURAN AND BENZOTHIOPHENE DERIVATIVES, THEIR USE IN INHIBITING MAMMALIAN LEUKOTRIENE BIOSYNTHESIS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE DERIVATIVES MERCK FROSST CANADA INC. (CA) 1989-08-23 EP disclosed