SCHEMBL14618445

SCHEMBL14618445

CCC1C=Cc2c1cccc2-n1c(-c2cc(C(C)C)c(O)cc2O)cnc1O

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 17/20 0.40
▸ HSP90AB1 P08238 16/20 0.40
▸ MET P08581 1/20 0.32
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2B6 P20813 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30

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
SCHEMBL1340980 0.73 HSP90AA1 (0.43) HSP90AA1HSP90AB1
SCHEMBL1343952 0.71 HSP90AA1 (0.40) HSP90AA1HSP90AB1
SCHEMBL14618679 0.70 — —
SCHEMBL1341149 0.62 HSP90AB1 (0.45) HSP90AA1HSP90AB1CYP3A4
SCHEMBL1149708 0.62 HSP90AA1 (0.38) HSP90AA1HSP90AB1CYP2C19
SCHEMBL1343450 0.62 HSP90AA1 (0.44) HSP90AA1HSP90AB1
SCHEMBL1148670 0.61 HSP90AA1 (0.44) HSP90AA1HSP90AB1
SCHEMBL1148685 0.61 HSP90AA1 (0.51) HSP90AA1HSP90AB1
SCHEMBL1340826 0.61 HSP90AA1 (0.61) HSP90AA1HSP90AB1
SCHEMBL14525262 0.61 HSP90AA1 (0.41) HSP90AA1HSP90AB1

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-2007021877-A1 IMIDAZOLE COMPOUNDS THAT MODULATE HSP90 ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2007-02-22 — — WO disclosed
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