SCHEMBL9324868

SCHEMBL9324868

COC(=O)c1cc(OCCCOc2ccc(-c3ccccc3)cc2)cc(OCCCOc2ccc(-c3ccccc3)cc2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.61
RAB9A P51151 2/20 0.61
HDAC3 O15379 9/20 0.56
HDAC4 P56524 9/20 0.56
HDAC1 Q13547 9/20 0.56
HDAC7 Q8WUI4 9/20 0.56
HDAC2 Q92769 9/20 0.56
HDAC10 Q969S8 9/20 0.56
HDAC11 Q96DB2 9/20 0.56
HDAC8 Q9BY41 9/20 0.56
HDAC6 Q9UBN7 9/20 0.56
HDAC9 Q9UKV0 9/20 0.56
HDAC5 Q9UQL6 9/20 0.56
PPARG P37231 2/20 0.53
PPARD Q03181 2/20 0.53
PPARA Q07869 2/20 0.53
MMP3 P08254 1/20 0.51
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
NPC1 O15118 1/20 0.50

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
SCHEMBL9325774 0.89 MAPT (0.55) MAPTRAB9AHDAC1HDAC2ALDH1A1
SCHEMBL7317665 0.87 MAPT (0.82) MAPTRAB9AHDAC3HDAC4HDAC1
SCHEMBL9323928 0.86 LMNA (0.60) MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL762838 0.86 MAPT (0.55) MAPTRAB9AHDAC3HDAC4HDAC1
SCHEMBL9323949 0.85 PKM (0.57) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9325938 0.84 KDM4E (0.54) MAPTRAB9ATDP1L3MBTL1SMN1; SMN2
SCHEMBL7826725 0.83 MAPT (0.54) MAPTRAB9AHDAC3HDAC4HDAC1
SCHEMBL7333166 0.82 MAPT (0.79) MAPTRAB9AHDAC3HDAC4HDAC1
SCHEMBL6539224 0.82 MAPT (0.90) MAPTRAB9ATDP1L3MBTL1NPC1
SCHEMBL9325175 0.81 KMT2A (0.55) MAPTRAB9APPARGNPC1ALDH1A1

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
US-5374772-A Skin disorders, antiinflammatory agents, cardiovascular disorders HOFFMANN-LAROCHE INC. (US) 1994-12-20 US disclosed
EP-0601385-A1 Disubstituted benzoic acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1994-06-15 EP disclosed