SCHEMBL11044526

SCHEMBL11044526

CCC[C@H]1CC[C@H](c2ccc(-c3cc(O)c4c(c3O)C(=O)c3ccccc3C4=O)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 2/20 0.44
▸ MAPT P10636 4/20 0.43
▸ MEN1 O00255 4/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ BRCA1 P38398 2/20 0.43
▸ MAOA P21397 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ TTR P02766 1/20 0.43
▸ CYP1A1 P04798 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ HSPD1 P10809 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ ALOX12 P18054 1/20 0.43
▸ ACHE P22303 1/20 0.43
▸ MAOB P27338 1/20 0.43
▸ RECQL P46063 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
SCHEMBL11044532 1.00 CYP2C9 (0.44) CYP2C9MAPTMEN1KMT2AALDH1A1
SCHEMBL11048424 0.87 MAPT (0.42) CYP2C9MAPTMEN1KMT2AALDH1A1
SCHEMBL11044666 0.87 PGAM1 (0.43) CYP2C9MAPTMEN1KMT2AALDH1A1
SCHEMBL15283742 0.79 CYP2C9 (0.44) CYP2C9MAPTMEN1KMT2AALDH1A1
SCHEMBL15283741 0.79 CYP2C9 (0.44) CYP2C9MAPTMEN1KMT2AALDH1A1
SCHEMBL11044726 0.78 CYP2C9 (0.48) CYP2C9MAPTMEN1KMT2AALDH1A1
SCHEMBL11044724 0.78 CYP2C9 (0.48) CYP2C9MAPTMEN1KMT2AALDH1A1
SCHEMBL13326210 0.77 CYP2C9 (0.45) CYP2C9MAPTMEN1KMT2AALDH1A1
SCHEMBL11049024 0.76 MAOB (0.45) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL13346239 0.75 ESR2 (0.42) CYP2C9MAPTMEN1KMT2AALDH1A1

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
US-4456545-A Dichroitic anthraquinone dyestuffs useful in liquid crystalline dielectrics and electro-optical indicator elements MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1984-06-26 — — US disclosed
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