SCHEMBL8009994

SCHEMBL8009994

COC(=O)c1cc(CNc2cc(Oc3ccccc3)ccc2NO)ccc1OC

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 3/20 0.54
▸ LMNA P02545 3/20 0.48
▸ HPGD P15428 3/20 0.48
▸ PPARG P37231 2/20 0.47
▸ PPARA Q07869 2/20 0.47
▸ PPARD Q03181 1/20 0.47
▸ GAA P10253 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ KDM4C Q9H3R0 1/20 0.43
▸ FFAR1 O14842 5/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ HTT P42858 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ MAPT P10636 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ L3MBTL1 Q9Y468 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
SCHEMBL14878570 0.88 HDAC8 (0.53) HDAC8LMNAHPGDPPARGPPARA
SCHEMBL12139195 0.88 HDAC8 (0.52) HDAC8LMNAHPGDPPARGPPARA
SCHEMBL12139167 0.84 AKR1B10 (0.51) HDAC8LMNAHPGDPPARGPPARA
SCHEMBL8012083 0.78 HDAC8 (0.50) HDAC8PPARGPPARAPPARDGAA
SCHEMBL13133475 0.77 HPGD (0.55) LMNAHPGDPPARGPPARAPPARD
SCHEMBL4446937 0.71 HPGD (0.52) LMNAHPGDGAAKDM4EALDH1A1
SCHEMBL6927546 0.71 GAA (0.65) LMNAHPGDGAAKDM4EALDH1A1
SCHEMBL6141248 0.70 FFAR1 (0.56) HDAC8GAAHDAC1FFAR1KDM4E
SCHEMBL95380 0.70 HPGD (0.56) LMNAHPGDPPARAPPARDGAA
SCHEMBL8570550 0.70 MEN1 (0.53) LMNAHPGDPPARGPPARAPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009092566-A1 SUBSTITUTED AMINO-BENZIMIDAZOLES, MEDICAMENTS COMPRISING SAID COMPOUND, THEIR USE AND THEIR METHOD OF MANUFACTURE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-07-30 — — WO disclosed
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