SCHEMBL11249067

SCHEMBL11249067

CCOC(=O)Cc1ccc2c(c1)sc1cc(Cl)c(Cl)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
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
MAPT P10636 2/20 0.42
ALOX15 P16050 2/20 0.41
CRHBP P24387 1/20 0.41
HTT P42858 1/20 0.41
CRHR2 Q13324 1/20 0.41
TSHR P16473 2/20 0.40
SIGMAR1 Q99720 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP4Z1 Q86W10 1/20 0.39
GABRP O00591 1/20 0.38
GABRD O14764 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
SCHEMBL11235501 0.88 MAPT (0.49) L3MBTL1SMN1; SMN2NPC1RAB9APKM
SCHEMBL11237145 0.87 NPC1 (0.47) L3MBTL1SMN1; SMN2NPC1RAB9APKM
Methane SCHEMBL11228447 0.86 NPC1 (0.46) L3MBTL1SMN1; SMN2NPC1RAB9APKM
SCHEMBL11248963 0.86 L3MBTL1 (0.46) L3MBTL1SMN1; SMN2NPC1RAB9APKM
SCHEMBL11236909 0.85 L3MBTL1 (0.50) L3MBTL1SMN1; SMN2NPC1RAB9APKM
SCHEMBL11228323 0.85 L3MBTL1 (0.49) L3MBTL1SMN1; SMN2NPC1RAB9APKM
Butane SCHEMBL11229487 0.85 NPC1 (0.46) L3MBTL1SMN1; SMN2NPC1RAB9APKM
SCHEMBL11242199 0.84 SMN1; SMN2 (0.54) L3MBTL1SMN1; SMN2NPC1RAB9APKM
SCHEMBL11240749 0.84 L3MBTL1 (0.44) L3MBTL1SMN1; SMN2NPC1RAB9APKM
Methane SCHEMBL11238637 0.83 SMN1; SMN2 (0.53) 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