SCHEMBL15211340

SCHEMBL15211340

COc1ccc(CSc2cc(OCCl)ccc2OCCl)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.45
APP P05067 1/20 0.43
MAOA P21397 2/20 0.42
LMNA P02545 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
DAO P14920 2/20 0.39
IDO1 P14902 2/20 0.39
MMP13 P45452 1/20 0.39
TSHR P16473 1/20 0.38
ADK P55263 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
TP53 P04637 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TDP1 Q9NUW8 1/20 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
SCHEMBL10687383 0.76 APP (0.58) MAOBAPPMAOALMNAL3MBTL1
SCHEMBL9507201 0.75 APP (0.46) MAOBAPPMAOALMNAL3MBTL1
SCHEMBL19297784 0.71 APP (0.49) MAOBAPPMAOALMNAL3MBTL1
SCHEMBL7029327 0.70 CA1 (0.58) MAOBAPPL3MBTL1MAPTMAPK1
SCHEMBL15211338 0.70 APP (0.44) MAOBAPPMAOALMNAL3MBTL1
SCHEMBL9507453 0.69 IDO1 (0.45) MAOBAPPMAOAMAPTIDO1
SCHEMBL26601680 0.69 TP53 (0.45) MAOBAPPMAOALMNAL3MBTL1
SCHEMBL28525316 0.68 APP (0.40) MAOBAPPMAOALMNAL3MBTL1
SCHEMBL3228582 0.67 APP (0.82) MAOBAPPMAOADAOIDO1
SCHEMBL19389471 0.67 MAOB (0.60) MAOBAPPMAOALMNAL3MBTL1

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
EP-2838891-A1 AROMATIC RING COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-02-25 EP disclosed
WO-2013125732-A1 AROMATIC RING COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-08-29 WO disclosed