SCHEMBL8324239

SCHEMBL8324239

COc1cccc(CCC(=O)N2CCOCC2)c1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 4/20 0.72
L3MBTL1 Q9Y468 2/20 0.59
SIGMAR1 Q99720 2/20 0.58
GAA P10253 1/20 0.57
POLB P06746 1/20 0.53
HTT P42858 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
ALDH1A1 P00352 3/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
KDM4E B2RXH2 2/20 0.52
PCNA P12004 1/20 0.51
CASP3 P42574 1/20 0.51
CASP7 P55210 1/20 0.51

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
SCHEMBL22813680 0.88 SIGMAR1 (0.62) FKBP1AL3MBTL1SIGMAR1SMN1; SMN2ALDH1A1
SCHEMBL8326447 0.86 SIGMAR1 (0.66) FKBP1ASIGMAR1GAAALDH1A1MEN1
SCHEMBL13624853 0.85 SIGMAR1 (0.61) FKBP1ASIGMAR1ALDH1A1MEN1KMT2A
SCHEMBL14218060 0.84 SIGMAR1 (0.67) L3MBTL1SIGMAR1GAAALDH1A1MEN1
SCHEMBL23009037 0.82 ME2 (0.68) L3MBTL1SIGMAR1GAAPOLBMEN1
SCHEMBL4378642 0.81 L3MBTL1 (0.57) L3MBTL1SIGMAR1GAAPOLBALDH1A1
SCHEMBL3442081 0.80 FKBP1A (0.69) FKBP1APOLBRAB9ASMN1; SMN2ALDH1A1
SCHEMBL4377878 0.80 SIGMAR1 (0.61) FKBP1ASIGMAR1GAARAB9AALDH1A1
SCHEMBL2835539 0.80 KMT2A (0.60) SIGMAR1POLBALDH1A1MEN1KMT2A
SCHEMBL4378416 0.80 ALDH1A1 (0.73) SIGMAR1POLBRAB9AALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0633259-B1 Sulfonylaminopyrimidines, their preparation and their use as medicine HOFFMANN LA ROCHE (CH) 1999-01-13 EP disclosed
US-5541186-A ENDOTHELIN RECEPTOR INHIBITORS HOFFMANN-LA ROCHE INC. (US) 1996-07-30 US disclosed
EP-0633259-A1 Sulfonylaminopyrimidines, their preparation and their use as medicine F. HOFFMANN-LA ROCHE AG (CH) 1995-01-11 EP disclosed