SCHEMBL7052640

SCHEMBL7052640

C#CCC(/C=C/c1ccccc1)OC(C)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
GLA P06280 1/20 0.40
CYP1A2 P05177 2/20 0.40
CNR2 P34972 1/20 0.38
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
PAM P19021 1/20 0.36
ALDH1A1 P00352 3/20 0.35
HPGD P15428 1/20 0.35
HDAC3 O15379 1/20 0.35
TNKS O95271 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35

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
SCHEMBL7052644 1.00 MEN1 (0.40) MEN1KMT2ATDP1GLACYP1A2
SCHEMBL7054847 0.86 JUN (0.38) CYP1A2MAOBALDH1A1HPGDHDAC1
SCHEMBL7522228 0.86 JUN (0.38) CYP1A2MAOBALDH1A1HPGDHDAC1
SCHEMBL7522335 0.84 MAPT (0.43) KMT2ATDP1CYP1A2ALDH1A1LMNA
SCHEMBL7522328 0.84 MAPT (0.43) KMT2ATDP1CYP1A2ALDH1A1LMNA
SCHEMBL10076684 0.79 PPARG (0.47) MEN1KMT2ATDP1GLACYP1A2
SCHEMBL20598268 0.78 MEN1 (0.41) MEN1KMT2ATDP1GLACYP1A2
SCHEMBL7118884 0.77 MAPK1 (0.37) TDP1CYP1A2ALDH1A1LMNACYP2D6
SCHEMBL20598401 0.77 MEN1 (0.40) MEN1KMT2ATDP1GLACYP1A2
SCHEMBL7097856 0.76 TDP1 (0.52) KMT2ATDP1GLACYP1A2CNR2

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