SCHEMBL27701421

SCHEMBL27701421

COc1cc(OC(C)=O)nc2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.61
▸ HPGD P15428 4/20 0.53
▸ LMNA P02545 3/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ MAPT P10636 7/20 0.48
▸ ALDH1A1 P00352 6/20 0.48
▸ POLB P06746 4/20 0.48
▸ KDM4E B2RXH2 5/20 0.48
▸ HTT P42858 3/20 0.48
▸ SLC2A1 P11166 1/20 0.47
▸ MEN1 O00255 5/20 0.45
▸ KMT2A Q03164 5/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ ALOX5 P09917 1/20 0.44
▸ NPC1 O15118 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ IGF1R P08069 1/20 0.43
▸ DHODH Q02127 2/20 0.43
▸ GAA P10253 1/20 0.43

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
SCHEMBL4274235 0.91 ALDH1A1 (0.53) ALOX15HPGDLMNASMN1; SMN2MAPT
SCHEMBL8063146 0.89 ALOX15 (0.63) ALOX15HPGDLMNASMN1; SMN2MAPT
SCHEMBL9033681 0.87 ALOX15 (0.60) ALOX15HPGDLMNASMN1; SMN2MAPT
SCHEMBL396614 0.82 HPGD (0.64) ALOX15HPGDLMNASMN1; SMN2MAPT
SCHEMBL30065410 0.82 HPGD (0.64) ALOX15HPGDLMNASMN1; SMN2MAPT
SCHEMBL28611035 0.80 HPGD (0.62) ALOX15HPGDLMNASMN1; SMN2MAPT
SCHEMBL10202005 0.78 ALOX15 (0.79) ALOX15HPGDLMNASMN1; SMN2MAPT
SCHEMBL376962 0.78 ALOX15 (0.47) ALOX15HPGDLMNASMN1; SMN2MAPT
SCHEMBL297225 0.76 ALOX15 (1.00) ALOX15HPGDLMNASMN1; SMN2MAPT
SCHEMBL13036676 0.75 ALOX15 (0.60) ALOX15HPGDLMNASMN1; SMN2MAPT

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
CN-101115742-B Heterocycle derivatives as histone deacetylase (hdac) inhibitors ANGELETTI P IST RICHERCHE BIO 2011-06-22 — — CN disclosed
CN-101115742-A Heterocycle derivatives as histone deacetylase (hdac) inhibitors ANGELETTI P IST RICHERCHE BIO (IT) 2008-01-30 — — CN disclosed
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