SCHEMBL11228323

SCHEMBL11228323

CCOC(=O)Cc1ccc2c(c1)sc1cccc(Cl)c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.49
ALDH1A1 P00352 2/20 0.49
MAPK1 P28482 2/20 0.49
KDM4E B2RXH2 1/20 0.49
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
PKM P14618 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LDHA P00338 1/20 0.41
MAPT P10636 3/20 0.39
F9 P00740 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
JAK3 P52333 1/20 0.39
NLRP3 Q96P20 1/20 0.39
ALOX15 P16050 1/20 0.38

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
SCHEMBL11248963 0.87 L3MBTL1 (0.46) L3MBTL1ALDH1A1MAPK1KDM4ENPC1
SCHEMBL11249067 0.85 L3MBTL1 (0.46) L3MBTL1ALDH1A1MAPK1KDM4ENPC1
SCHEMBL11236198 0.83 L3MBTL1 (0.46) L3MBTL1ALDH1A1MAPK1KDM4ENPC1
SCHEMBL11240925 0.82 SLC22A12 (0.46) MAPK1KDM4EMCL1SLC22A12OGG1
SCHEMBL11242199 0.82 SMN1; SMN2 (0.54) L3MBTL1ALDH1A1KDM4ENPC1RAB9A
SCHEMBL11235501 0.81 MAPT (0.49) L3MBTL1ALDH1A1MAPK1NPC1RAB9A
Methane SCHEMBL11238637 0.81 SMN1; SMN2 (0.53) L3MBTL1ALDH1A1KDM4ENPC1RAB9A
SCHEMBL11237145 0.78 NPC1 (0.47) L3MBTL1ALDH1A1NPC1RAB9APKM
SCHEMBL11423074 0.77 TTR (0.43) L3MBTL1ALDH1A1KDM4ENPC1RAB9A
SCHEMBL11240749 0.77 L3MBTL1 (0.44) L3MBTL1ALDH1A1MAPK1KDM4ENPC1

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