SCHEMBL9210893

SCHEMBL9210893

C=C(Cl)CC(CC)C(=O)OC

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
GRIK1 P39086 1/20 0.39
GRIK2 Q13002 1/20 0.39
KMT2A Q03164 2/20 0.37
BIRC2 Q13490 1/20 0.36
USP2 O75604 1/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.32
ALDH1A1 P00352 1/20 0.32
MME P08473 1/20 0.32
ZDHHC7 Q9NXF8 1/20 0.32
LMNA P02545 1/20 0.31

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
SCHEMBL8192831 0.82 KMT2A (0.43) CA1CA2GRIK1GRIK2KMT2A
SCHEMBL8192827 0.82 KMT2A (0.43) CA1CA2GRIK1GRIK2KMT2A
SCHEMBL184812 0.78
SCHEMBL9205076 0.77 CA1 (0.55) CA1CA2KMT2ABIRC2USP2
SCHEMBL14821018 0.77 CA1 (0.55) CA1CA2KMT2ABIRC2USP2
SCHEMBL8201797 0.77 SMN1; SMN2 (0.36) CA1CA2GRIK1GRIK2KMT2A
SCHEMBL579960 0.77 CA1 (0.55) CA1CA2KMT2ABIRC2USP2
SCHEMBL6053670 0.77 CA2 (0.55) CA1CA2KMT2ABIRC2USP2
SCHEMBL335782 0.76 CA1 (0.50) CA1CA2KMT2ABIRC2USP2
SCHEMBL8204187 0.75 CYP2D6 (0.38) CA1CA2GRIK1GRIK2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0419049-B1 (Quinolin-2-ylmethoxy) indoles as inhibitors of the biosynthesis of leukotrienes MERCK FROSST CANADA INC (CA) 1995-04-12 EP disclosed
US-5380850-A Quinoline hydrazine intermediates MERCK FROSST CANADA, INC. (CA) 1995-01-10 US disclosed
WO-1994013293-A2 (QUINOLIN-2-YLMETHOXY)INDOLES AS INHIBITORS OF THE BIOSYNTHESIS OF LEUKOTRIENES MERCK FROSST CANADA INC. (CA) 1994-06-23 WO disclosed
US-5272145-A (Quinolin-2-ylmethoxy)indoles as inhibitors of the biosynthesis of leukotrienes MERCK FROSST CANADA, INC. (CA) 1993-12-21 US disclosed
US-5204344-A (Quinolin-2-ylmethoxy)indoles as inhibitors of the biosynthesis of leukotrienes MERCK FROSST CANADA, INC. (CA) 1993-04-20 US disclosed
EP-0419049-A1 (Quinolin-2-ylmethoxy) indoles as inhibitors of the biosynthesis of leukotrienes MERCK FROSST CANADA INC. (CA) 1991-03-27 EP disclosed