SCHEMBL11242635

SCHEMBL11242635

CCOC(=O)Cc1c(C)nn(Cc2ccccc2)c1C

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.62
PTGDR2 Q9Y5Y4 14/20 0.62
ALDH1A1 P00352 1/20 0.58
POLB P06746 2/20 0.57
MAPK1 P28482 1/20 0.55
NPC1 O15118 1/20 0.53
LMNA P02545 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53

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
SCHEMBL508552 0.89 PTGDR2 (0.58) PTGDR2
SCHEMBL509141 0.88 GAA (0.64) GAAPTGDR2POLBNPC1LMNA
SCHEMBL31395711 0.87 PTGDR2 (0.52) GAAPTGDR2MAPK1
SCHEMBL509015 0.85 PTGDR2 (0.81) GAAPTGDR2POLB
SCHEMBL31395608 0.83 PDE4A (0.53) PTGDR2LMNA
SCHEMBL31395775 0.81 PTGDR2 (0.58) PTGDR2
SCHEMBL508498 0.81 PTGDR2 (0.56) PTGDR2
SCHEMBL31395807 0.80 PTGDR2 (0.48) PTGDR2
SCHEMBL31395823 0.80 PTGDR2 (0.61) PTGDR2
SCHEMBL11243796 0.78 PDE4D (0.63) GAAALDH1A1NPC1NPSR1TDP1

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-4325962-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIDYRETICS BYK-GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1982-04-20 US disclosed
US-4146721-A ANALGESICS, ANTIINFLAMMATORY AGENTS AND ANTIPYRETICS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1979-03-27 US disclosed