SCHEMBL8815935

SCHEMBL8815935

CC(=O)OCc1cc(COC(C)=O)cc(CN2C(=O)c3ccccc3C2=O)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.53
POLB P06746 1/20 0.53
ALDH1A1 P00352 4/20 0.51
KMT2A Q03164 5/20 0.50
IDH1 O75874 1/20 0.48
MEN1 O00255 2/20 0.47
GAA P10253 1/20 0.47
ALOX15 P16050 1/20 0.47
HTT P42858 1/20 0.47
HSD17B10 Q99714 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
CASP3 P42574 2/20 0.46
PKM P14618 1/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MMP13 P45452 1/20 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
SCHEMBL17029125 0.80 CASP3 (0.66) HPGDPOLBALDH1A1KMT2AMEN1
SCHEMBL29783149 0.76 KMT2A (0.60) HPGDALDH1A1KMT2AMEN1HSD17B10
SCHEMBL2701523 0.76 KMT2A (0.60) HPGDALDH1A1KMT2AMEN1HSD17B10
SCHEMBL30761912 0.76 KMT2A (0.59) HPGDPOLBALDH1A1KMT2AMEN1
SCHEMBL27377659 0.76 KMT2A (0.59) HPGDPOLBALDH1A1KMT2AMEN1
SCHEMBL5666942 0.75 ALDH1A1 (0.64) ALDH1A1IDH1HSD17B10SMN1; SMN2
SCHEMBL2258501 0.73 KMT2A (0.70) HPGDKMT2AMEN1ALOX15HTT
SCHEMBL10495293 0.73 SMN1; SMN2 (0.67) HPGDPOLBALDH1A1KMT2AMEN1
SCHEMBL22343845 0.73 KMT2A (0.56) HPGDPOLBALDH1A1KMT2AMEN1
SCHEMBL8816529 0.73 CASP3 (0.56) HPGDPOLBALDH1A1KMT2AMEN1

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-0684823-A4 FIBRINOGEN RECEPTOR ANTAGONISTS. MERCK & CO INC (US) 1997-07-09 EP disclosed
WO-1997005156-A1 A NEW ACHIRAL LINKER REAGENT FOR THE INCORPORATION OF MULTIPLE AMINO GROUPS INTO OLIGONUCLEOTIDES BEHRENS CARSTEN (DK) 1997-02-13 WO disclosed
EP-0684823-A1 FIBRINOGEN RECEPTOR ANTAGONISTS MERCK & CO. INC. (US) 1995-12-06 EP disclosed