SCHEMBL8154396

SCHEMBL8154396

COc1ccc(C(=O)C2Cc3ccccc3C2=O)cc1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.56
MAPT P10636 2/20 0.56
KDM4E B2RXH2 1/20 0.56
MEN1 O00255 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
RAB9A P51151 4/20 0.49
MAPK1 P28482 1/20 0.49
NPC1 O15118 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
TP53 P04637 1/20 0.45
HPGD P15428 1/20 0.45
MAOA P21397 1/20 0.45
PTGS2 P35354 1/20 0.45
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
ACHE P22303 1/20 0.45

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
SCHEMBL8160045 0.86 METAP1 (0.52) RAB9AMAPK1NPC1ALDH1A1
SCHEMBL11857136 0.84 MAPT (0.59) KMT2AMAPTKDM4EMEN1L3MBTL1
SCHEMBL23618751 0.83 MAPT (0.70) KMT2AMAPTKDM4EMEN1L3MBTL1
SCHEMBL1000380 0.77 ACHE (0.51) KMT2AMAPTKDM4EMEN1L3MBTL1
SCHEMBL6970354 0.77 MAPT (0.68) KMT2AMAPTRAB9AMAPK1NPC1
SCHEMBL29476747 0.77 ACHE (0.51) KMT2AMAPTKDM4EMEN1L3MBTL1
SCHEMBL5217220 0.75 MAPK1 (0.53) MAPTRAB9AMAPK1NPC1SMN1; SMN2
SCHEMBL856747 0.75 ACHE (0.56) KMT2AMAPTKDM4EMEN1L3MBTL1
SCHEMBL9148955 0.75 CYP19A1 (0.59) MAPTKDM4ERAB9AMAPK1NPC1
SCHEMBL9247422 0.74 MAPK1 (0.46) KMT2ARAB9AMAPK1NPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6107346-A ADMINISTERING AND AROMATIC KETONE COMPOUND ELI LILLY AND COMPANY (US) 2000-08-22 US disclosed
EP-0897903-A2 Ketone-derivatives of indene, dihydronaphthalene or naphthalene compounds for the treatment of hyperlipidemia ELI LILLY AND COMPANY (US) 1999-02-24 EP disclosed
WO-1999007360-A1 COMPOUNDS AND USES THEREOF ELI LILLY AND COMPANY (US) 1999-02-18 WO disclosed
US-4075223-A NONSTEROIDAL ELI LILLY AND COMPANY (US) 1978-02-21 US disclosed
US-4017546-A AROYL PHENYL INDENES AND AROYL PHENYL NAPHTHALENES ELI LILLY AND COMPANY (US) 1977-04-12 US disclosed