SCHEMBL6161136

SCHEMBL6161136

CCOC(=O)C(C)(C)c1cccc(N)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 7/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ MMP8 P22894 1/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ F2 P00734 1/20 0.41
▸ F10 P00742 1/20 0.41
▸ PLG P00747 1/20 0.41
▸ PRSS1 P07477 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ MAOB P27338 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ MAOA P21397 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPT P10636 1/20 0.40

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
SCHEMBL2060134 0.84 CNR2 (0.52) CNR2MMP8F2F10PLG
SCHEMBL20568299 0.83 TSHR (0.47) SMN1; SMN2CYP3A4TP53TSHRMAPK1
SCHEMBL3923273 0.83 CNR2 (0.51) CNR2CYP3A4MAOBMAPTPIN1
SCHEMBL1068045 0.82 CNR1 (0.50) CNR2CYP3A4F2PRSS1TSHR
SCHEMBL13477414 0.82 PARP1 (0.47) CNR2F2F10PLGPRSS1
SCHEMBL27775464 0.82 CNR2 (0.45) CNR2MMP8F2F10PLG
SCHEMBL12021018 0.81 CNR2 (0.47) CNR2MMP8CYP3A4F2F10
SCHEMBL5216184 0.81 NPSR1 (0.49) CNR2SMN1; SMN2KDM4EMEN1ALDH1A1
SCHEMBL421400 0.81 CNR2 (0.47) CNR2SMN1; SMN2MMP8TSHRMAPK1
SCHEMBL29701153 0.81 CNR2 (0.47) CNR2SMN1; SMN2MMP8TSHRMAPK1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019057969-A1 DUAL AGONISTS OF FXR AND PPARδ AND THEIR USES Johann Wolfgang Goethe-Universität (DE) 2019-03-28 — — WO disclosed
EP-1178969-B1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS BLACK JAMES FOUNDATION (GB) 2005-07-13 — — EP disclosed
US-6479531-B1 Gastrin and cholecystokinin receptor ligands JAMES BLACK FOUNDATION LIMITED (GB) 2002-11-12 — — US disclosed
EP-1178969-A1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 2002-02-13 — — EP disclosed
CN-1325385-A Gastrin and cholecystokinin receptor ligands BLACK JAMES FOUNDATION (GB) 2001-12-05 — — CN disclosed
WO-2000027823-A1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 2000-05-18 — — WO disclosed
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