SCHEMBL27487578

SCHEMBL27487578

CC(Cc1cc2ccccc2[nH]1)OC=O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.47
DPP4 P27487 1/20 0.44
CYP2A6 P11509 1/20 0.44
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
CASR P41180 2/20 0.43
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ADAMTS4 O75173 1/20 0.41
HRH4 Q9H3N8 1/20 0.41

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
SCHEMBL27745986 0.85 LOXL2 (0.51) LOXL2DPP4CYP2A6MTNR1AMTNR1B
SCHEMBL27934322 0.84 LOXL2 (0.46) LOXL2DPP4CYP2A6MTNR1AMTNR1B
SCHEMBL27992847 0.84 LOXL2 (0.46) LOXL2DPP4CYP2A6MTNR1AMTNR1B
SCHEMBL27807522 0.84 LOXL2 (0.46) LOXL2DPP4CYP2A6MTNR1AMTNR1B
SCHEMBL27738751 0.81 FLT3 (0.39) LOXL2HRH4
SCHEMBL27570412 0.81 ALOX15 (0.46) LOXL2HRH4
SCHEMBL27489310 0.81 KDM4E (0.40) LOXL2DPP4KDM4ELMNA
SCHEMBL28781244 0.81 LOXL2 (0.41) LOXL2DPP4CYP2A6MTNR1AMTNR1B
SCHEMBL9027554 0.79 LOXL2 (0.58) LOXL2DPP4MTNR1AMTNR1BCASR
SCHEMBL27657205 0.77 LOXL2 (0.43) LOXL2DPP4CYP2A6MTNR1AMTNR1B

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
CN-101547914-A Indoles compound HOFFMANN LA ROCHE (CH) 2009-09-30 CN disclosed
CN-101547923-A Spiro-piperidine derivatives as VIA receptor antagonists HOFFMANN LA ROCHE (CH) 2009-09-30 CN disclosed
CN-101541797-A Spiro-piperidine derivatives HOFFMANN LA ROCHE (CH) 2009-09-23 CN disclosed
CN-101321726-A Novel fused pyrrole derivative DAINIPPON SUMITOMO PHARMA CO (JP) 2008-12-10 CN disclosed
CN-1197860-C FAB I inhibitors SMITHKLINE BEECHAM CORP (CA) 2005-04-20 CN disclosed
CN-1378542-A Antigen binding fragment I inhibitors SMITHKLINE BEECHAM CORP (US) 2002-11-06 CN disclosed