SCHEMBL11240749

SCHEMBL11240749

CCOC(=O)Cc1ccc2c(c1)sc1c(Cl)c(Cl)ccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
PKM P14618 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
MAPT P10636 3/20 0.40
ALOX15 P16050 2/20 0.39
CRHBP P24387 1/20 0.39
HTT P42858 1/20 0.39
CRHR2 Q13324 1/20 0.39
TSHR P16473 2/20 0.38
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
LDHA P00338 1/20 0.38
LMNA P02545 2/20 0.38
GAA P10253 1/20 0.38
SIGMAR1 Q99720 2/20 0.37

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
SCHEMBL11236198 0.87 L3MBTL1 (0.46) L3MBTL1SMN1; SMN2NPC1RAB9APKM
SCHEMBL11248963 0.85 L3MBTL1 (0.46) L3MBTL1SMN1; SMN2NPC1RAB9APKM
SCHEMBL11249067 0.84 L3MBTL1 (0.46) L3MBTL1SMN1; SMN2NPC1RAB9APKM
SCHEMBL11235501 0.82 MAPT (0.49) L3MBTL1SMN1; SMN2NPC1RAB9APKM
SCHEMBL11243751 0.82 CA2 (0.46) NFKB1MAPTTSHRLMNAGAA
SCHEMBL11237145 0.79 NPC1 (0.47) L3MBTL1SMN1; SMN2NPC1RAB9APKM
SCHEMBL11242199 0.78 SMN1; SMN2 (0.54) L3MBTL1SMN1; SMN2NPC1RAB9APKM
Methane SCHEMBL11228447 0.78 NPC1 (0.46) L3MBTL1SMN1; SMN2NPC1RAB9APKM
Butane SCHEMBL11229487 0.77 NPC1 (0.46) L3MBTL1SMN1; SMN2NPC1RAB9APKM
SCHEMBL11228323 0.77 L3MBTL1 (0.49) L3MBTL1SMN1; SMN2NPC1RAB9APKM

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-4334078-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIRHEUMATICS HOFFMANN-LA ROCHE INC. (US) 1982-06-08 US disclosed
US-4219657-A USED AS ANTIINFLAMATORY AGENTS, ANALGESICS, ANTIRHEUMATIC AGENTS HOFFMANN-LA ROCHE INC. (US) 1980-08-26 US disclosed