SCHEMBL7052453

SCHEMBL7052453

C#CCC(OC(C)=O)c1ccncc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.40
MAPK1 P28482 1/20 0.40
PABPC1 P11940 1/20 0.36
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
CYP19A1 P11511 6/20 0.35
CYP17A1 P05093 2/20 0.34
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ACACB O00763 1/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A3 Q01959 1/20 0.32
GALR3 O60755 1/20 0.32
MAPT P10636 1/20 0.32
BLM P54132 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 3/20 0.31
SIGMAR1 Q99720 1/20 0.31
CYP3A4 P08684 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL7522491 0.84 PABPC1 (0.50) PABPC1APOBEC3AAPOBEC3GCYP19A1KMT2A
SCHEMBL7529301 0.82 ALDH1A1 (0.46) MAPK1CYP19A1CYP17A1SMN1; SMN2ALDH1A1
SCHEMBL7522228 0.73 JUN (0.38) USP2MAPK1CYP19A1MAPTSMN1; SMN2
SCHEMBL7054847 0.73 JUN (0.38) USP2MAPK1CYP19A1MAPTSMN1; SMN2
SCHEMBL9683295 0.72 MAPK1 (0.51) USP2MAPK1CYP19A1CYP17A1KMT2A
SCHEMBL10516365 0.71 CYP19A1 (0.54) USP2MAPK1CYP19A1CYP17A1KMT2A
SCHEMBL7515532 0.69 HDAC8 (0.38) CYP19A1CYP17A1SLC6A2SLC6A3CYP3A4
SCHEMBL7552631 0.68 PABPC1 (0.50) PABPC1APOBEC3AAPOBEC3GCYP19A1KMT2A
SCHEMBL27504614 0.68 CYP1A2 (0.45) NPSR1SMN1; SMN2SIGMAR1
SCHEMBL2208580 0.68 PABPC1 (0.50) PABPC1APOBEC3AAPOBEC3GCYP19A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1303615-A2 FERMENTATION PROCESS FOR EPOTHILONES Kosan Biosciences, Inc. (US) 2003-04-23 EP claimed
US-20020137152-A1 Fermentation process for epothilones KOSAN BIOSCIENCES, INC. 2002-09-26 US claimed
WO-2002008440-A2 FERMENTATION PROCESS FOR EPOTHILONES KOSAN BIOSCIENCES, INC. (US) 2002-01-31 WO claimed
EP-1303615-A2 FERMENTATION PROCESS FOR EPOTHILONES Kosan Biosciences, Inc. (US) 2003-04-23 EP disclosed
US-20020137152-A1 Fermentation process for epothilones KOSAN BIOSCIENCES, INC. 2002-09-26 US disclosed
WO-2002008440-A2 FERMENTATION PROCESS FOR EPOTHILONES KOSAN BIOSCIENCES, INC. (US) 2002-01-31 WO disclosed