SCHEMBL15211705

SCHEMBL15211705

CC(=O)Oc1coc2cc(OCc3ncc(C)nc3C)ccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.38
KDM4E B2RXH2 5/20 0.38
RAB9A P51151 5/20 0.38
ALDH1A1 P00352 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 3/20 0.38
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37
POLB P06746 6/20 0.37
MEN1 O00255 6/20 0.37
KMT2A Q03164 6/20 0.37
LMNA P02545 2/20 0.37
HPGD P15428 3/20 0.37
CYP2C19 P33261 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
FFAR1 O14842 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALDH2 P05091 2/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL15211452 0.84 KDM4E (0.41) MAPTKDM4ERAB9AALDH1A1SMN1; SMN2
SCHEMBL15211621 0.81 FFAR1 (0.56) MAPTRAB9ASMN1; SMN2PPARDPPARA
SCHEMBL17431516 0.80 PPARD (0.38) MAPTKDM4EALDH1A1PPARDPPARA
SCHEMBL17444921 0.80 RAB9A (0.48) MAPTKDM4ERAB9AALDH1A1SMN1; SMN2
SCHEMBL15211482 0.79 PPARD (0.38) MAPTKDM4ERAB9AALDH1A1NPC1
SCHEMBL15211199 0.76 NPC1 (0.51) MAPTKDM4ERAB9AALDH1A1SMN1; SMN2
SCHEMBL5502413 0.75 KDM4E (0.59) MAPTKDM4ERAB9AALDH1A1SMN1; SMN2
SCHEMBL3921973 0.73 SMN1; SMN2 (0.53) MAPTKDM4ERAB9AALDH1A1SMN1; SMN2
SCHEMBL15211619 0.72 POLB (0.52) MAPTKDM4ERAB9AALDH1A1SMN1; SMN2
SCHEMBL437186 0.70 KMT2A (0.51) MAPTKDM4ERAB9AALDH1A1SMN1; SMN2

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