SCHEMBL2596957

SCHEMBL2596957

CCOC(=O)C(=O)C(=O)Cc1cccc(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
MAPK1 P28482 1/20 0.47
GAA P10253 1/20 0.47
CTBP2 P56545 1/20 0.47
KMT2A Q03164 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
PDE3B Q13370 1/20 0.45
PDE3A Q14432 1/20 0.45
MEN1 O00255 2/20 0.44
LMNA P02545 2/20 0.44
ALDH1A1 P00352 2/20 0.44
KYAT1 Q16773 1/20 0.44
HPGD P15428 1/20 0.44
ALOX5 P09917 2/20 0.44
HTR3E A5X5Y0 1/20 0.44
HTR3B O95264 1/20 0.44
HTR3A P46098 1/20 0.44
HTR3D Q70Z44 1/20 0.44
HTR3C Q8WXA8 1/20 0.44
KDM4E B2RXH2 2/20 0.44

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
SCHEMBL5792784 0.91 MAPT (0.49) MAPTMAPK1GAACTBP2KMT2A
SCHEMBL10544357 0.82 XPO1 (0.52) MAPTMAPK1GAACTBP2KMT2A
SCHEMBL406058 0.81 MAOB (0.58) MAPTMAPK1CTBP2KMT2ASMN1; SMN2
SCHEMBL27006313 0.81 MAPT (0.54) MAPTGAAKMT2ASMN1; SMN2MEN1
SCHEMBL4755209 0.81 CES2 (0.55) MAPTMAPK1KMT2ASMN1; SMN2MEN1
SCHEMBL7059318 0.79 PLAAT3 (0.52) MAPTMAPK1GAAKMT2ASMN1; SMN2
SCHEMBL7640165 0.78 CTBP2 (0.51) CTBP2KMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL7643117 0.78 PLAAT3 (0.53) MAPTMAPK1GAAKMT2ASMN1; SMN2
SCHEMBL4325061 0.77 EPHX2 (0.52) MAPTMAPK1GAACTBP2KMT2A
SCHEMBL15682692 0.75 RXFP1 (0.53) MAPTGAAKMT2ASMN1; SMN2MEN1

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
WO-2011144338-A1 PYRAZOLE DERIVATIVES AS S1P1 AGONISTS ALMIRALL, S.A. (ES) 2011-11-24 WO disclosed