SCHEMBL9740369

SCHEMBL9740369

CCCc1c(OC(=S)N(C)C)c(Cl)cc(C(C)=O)c1OC(C)=O

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.37
NPC1 O15118 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
MAPT P10636 2/20 0.37
LMNA P02545 2/20 0.37
ALDH1A1 P00352 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
CTSD P07339 2/20 0.33
POLB P06746 1/20 0.33
RECQL P46063 1/20 0.33
HTT P42858 1/20 0.32
ABCB11 O95342 1/20 0.31
ALOX5 P09917 2/20 0.30
NCEH1 Q6PIU2 2/20 0.30

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
SCHEMBL10553104 0.79 PRKCI (0.35) RAB9ANPC1NPSR1MAPTLMNA
SCHEMBL9747175 0.72 PRKCI (0.42) RAB9ANPC1NPSR1MAPTLMNA
SCHEMBL10506114 0.69 CYSLTR2 (0.33) RAB9ANPC1NPSR1MAPTLMNA
SCHEMBL2476525 0.68 MAPT (0.39) RAB9ANPC1NPSR1MAPTLMNA
SCHEMBL481132 0.68 PPARG (0.50) MAPTLMNAPPARGPPARAALOX5
SCHEMBL30365671 0.68 PPARG (0.50) MAPTLMNAPPARGPPARAALOX5
SCHEMBL11822691 0.67 L3MBTL1 (0.52) RAB9ANPC1NPSR1LMNAALDH1A1
SCHEMBL10814683 0.67 NCEH1 (0.41) MAPTLMNAPPARGPPARAALOX5
SCHEMBL13924206 0.66 ALOX5 (0.41) MAPTLMNAALDH1A1SMN1; SMN2PPARG
SCHEMBL13116417 0.66 RAB9A (0.39) RAB9ANPC1NPSR1MAPTLMNA

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-5087638-A Inhibitors of mammalian leukotriene biosynthesis MERCK FROSST CANADA, INC. (CA) 1992-02-11 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