SCHEMBL8897950

SCHEMBL8897950

COc1ccc(OC(C)=O)c(C(=O)C(C)Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
KMT2A Q03164 2/20 0.49
HTT P42858 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
BACE1 P56817 1/20 0.48
POLB P06746 2/20 0.47
ALDH1A1 P00352 3/20 0.44
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CFD P00746 1/20 0.43
MEN1 O00255 1/20 0.42
KDM4E B2RXH2 2/20 0.42
HSD17B10 Q99714 1/20 0.41
TSHR P16473 1/20 0.41
NPC1 O15118 1/20 0.41
HPGD P15428 2/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
F2 P00734 1/20 0.40
GLA P06280 1/20 0.40

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
SCHEMBL8830902 0.81 MAPT (0.54) MAPTKMT2AHTTNPSR1BACE1
SCHEMBL27792264 0.81 MAPT (0.67) MAPTKMT2AHTTNPSR1BACE1
SCHEMBL27946281 0.81 MAPT (0.64) MAPTKMT2AHTTNPSR1BACE1
SCHEMBL1318999 0.80 CFD (0.67) MAPTKMT2AHTTNPSR1BACE1
SCHEMBL11793587 0.76 BACE1 (0.61) MAPTKMT2AHTTNPSR1BACE1
SCHEMBL13761323 0.74 MAPT (0.62) MAPTKMT2AHTTNPSR1POLB
SCHEMBL12950694 0.74 BACE1 (0.56) MAPTKMT2AHTTNPSR1BACE1
SCHEMBL3328971 0.74 TSHR (0.64) MAPTKMT2AHTTNPSR1BACE1
SCHEMBL3327344 0.74 CA12 (0.63) MAPTKMT2AHTTNPSR1BACE1
SCHEMBL8216277 0.73 HSD17B10 (0.55) MAPTHTTPOLBSMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0712493-A4 A METHOD FOR PREPARING AND SELECTING PHARMACEUTICALLY USEFUL NON-PEPTIDE COMPOUNDS FROM A STRUCTURALLY DIVERSE UNIVERSAL LIBRARY SPHINX PHARMA CORP (US) 1997-01-15 EP disclosed
EP-0712493-A1 A METHOD FOR PREPARING AND SELECTING PHARMACEUTICALLY USEFUL NON-PEPTIDE COMPOUNDS FROM A STRUCTURALLY DIVERSE UNIVERSAL LIBRARY SPHINX PHARMACEUTICALS CORPORATION (US) 1996-05-22 EP disclosed