SCHEMBL27979074

SCHEMBL27979074

CCC(=O)c1ccc(OCCCO)cc1O

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HSP90AB1 P08238 1/20 0.58
▸ MAOB P27338 14/20 0.53
▸ PPARD Q03181 1/20 0.51
▸ POLB P06746 1/20 0.47

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
SCHEMBL5711597 0.87 HSP90AB1 (0.57) HSP90AB1MAOB
SCHEMBL5711690 0.87 HSP90AB1 (0.57) HSP90AB1MAOB
SCHEMBL27716291 0.85 HSP90AB1 (0.58) HSP90AB1MAOBPPARDPOLB
SCHEMBL28060507 0.84 HSP90AB1 (0.66) HSP90AB1MAOBPOLB
SCHEMBL11044502 0.83 PPARD (0.55) MAOBPPARD
SCHEMBL9419216 0.80 HTT (0.65) MAOB
SCHEMBL7521761 0.80 HSP90AB1 (0.60) HSP90AB1MAOBPOLB
SCHEMBL3709147 0.79 NPC1 (0.68) HSP90AB1POLB
SCHEMBL2260356 0.79 NPC1 (0.68) HSP90AB1POLB
SCHEMBL38652178 0.79 NPC1 (0.68) HSP90AB1POLB

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
CN-103987739-A Substituted phenacyl molecules and photoresponsive polymers UNIV AKRON 2014-08-13 — — CN disclosed
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