SCHEMBL8015604

SCHEMBL8015604

CCOP(=O)(OCC)C(NCc1ccccn1)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.48
HMGCR P04035 2/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
IDH1 O75874 7/20 0.40
NR1I2 O75469 1/20 0.38
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 1/20 0.36

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
SCHEMBL8014329 0.90 MEN1 (0.51) GAAHMGCRMEN1KMT2ANPSR1
SCHEMBL8011719 0.82 HMGCR (0.51) GAAHMGCRMEN1KMT2ANPSR1
SCHEMBL8003353 0.81 HMGCR (0.47) GAAHMGCRMEN1KMT2ANPSR1
SCHEMBL8766613 0.76 HMGCR (0.49) GAAHMGCRMEN1KMT2ANPSR1
SCHEMBL8766586 0.75 MEN1 (0.43) GAAHMGCRMEN1KMT2AIDH1
SCHEMBL5363346 0.75 ALDH1A1 (0.44) MEN1KMT2ANPSR1ALDH1A1SMN1; SMN2
SCHEMBL7119145 0.74 HMGCR (0.46) GAAHMGCRMEN1KMT2ANPSR1
SCHEMBL8973534 0.71 CA12 (0.56) HMGCRMAPT
SCHEMBL3891522 0.71 GAA (0.67) GAAMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7117955 0.71 GAA (0.43) GAAHMGCRMEN1KMT2ANPSR1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0835116-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SYMPHAR S.A. (CH) 1998-04-15 EP claimed
WO-1997002037-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SYMPHAR S.A. (CH) 1997-01-23 WO claimed
US-6060464-A Compounds and pharmaceutical compositions containing them SMITHKLINE BEECHAM P.L.C. (GB) 2000-05-09 US disclosed
EP-0835116-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SYMPHAR S.A. (CH) 1998-04-15 EP disclosed
WO-1997002037-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SYMPHAR S.A. (CH) 1997-01-23 WO disclosed