SCHEMBL16388043

SCHEMBL16388043

COCCOCOc1cc(OCOCCOC)c(-c2cc(C(=O)O)no2)c(Oc2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 13/20 0.51
HSP90AB1 P08238 11/20 0.51
MAPT P10636 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
RECQL P46063 1/20 0.38
CXCR1 P25024 1/20 0.37
LMNA P02545 1/20 0.37

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
Potassium Ion SCHEMBL657320 0.92 HSP90AA1 (0.50) HSP90AA1HSP90AB1MAPTALDH1A1CXCR1
SCHEMBL655367 0.90 HSP90AA1 (0.50) HSP90AA1HSP90AB1MAPTALDH1A1LMNA
SCHEMBL3715889 0.89 HSP90AA1 (0.47) HSP90AA1HSP90AB1MAPTALDH1A1CXCR1
SCHEMBL3715890 0.89 HSP90AA1 (0.47) HSP90AA1HSP90AB1MAPTALDH1A1CXCR1
SCHEMBL656133 0.85 HSP90AA1 (0.42) HSP90AA1HSP90AB1MAPTALDH1A1CXCR1
SCHEMBL656132 0.85 HSP90AA1 (0.42) HSP90AA1HSP90AB1MAPTALDH1A1CXCR1
SCHEMBL7885798 0.84 HSP90AA1 (0.54) HSP90AA1HSP90AB1ALDH1A1
SCHEMBL16388413 0.84 HSP90AA1 (0.44) HSP90AA1HSP90AB1MAPT
SCHEMBL656515 0.81 HSP90AA1 (0.51) HSP90AA1HSP90AB1MAPT
SCHEMBL658893 0.81 HSP90AA1 (0.52) 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
EP-2421833-B1 RESORCINOL DERIVATIVES AS HSP90 INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2015-01-14 EP disclosed