SCHEMBL8619645

SCHEMBL8619645

COc1cc(CC(=O)ON2C(=O)CC(O)C2=O)ccc1NC(=O)Nc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.45
KMT2A Q03164 6/20 0.45
MAPT P10636 5/20 0.45
NPSR1 Q6W5P4 2/20 0.45
TSHR P16473 1/20 0.45
ITGA4 P13612 7/20 0.44
ITGB1 P05556 5/20 0.44
ALDH1A1 P00352 3/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 2/20 0.43
TP53 P04637 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
RCE1 Q9Y256 1/20 0.43
ABCB1 P08183 1/20 0.42
THRB P10828 1/20 0.41
CHEK1 O14757 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41

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
SCHEMBL5281947 0.79 MAPT (0.50) MEN1KMT2AMAPTNPSR1TSHR
SCHEMBL5156820 0.78 ITGB1 (0.58) MEN1KMT2AMAPTNPSR1TSHR
SCHEMBL8619632 0.77 CYP1A2 (0.38) ALDH1A1KDM4ELMNACYP1A2POLB
SCHEMBL5151715 0.76 MEN1 (0.54) MEN1KMT2AMAPTNPSR1TSHR
SCHEMBL6166911 0.74 MAPT (0.58) MEN1KMT2AMAPTNPSR1TSHR
SCHEMBL6597529 0.73 MEN1 (0.56) MEN1KMT2AMAPTNPSR1TSHR
SCHEMBL6881329 0.73 CA2 (0.38) MEN1KMT2AMAPTTSHRALDH1A1
SCHEMBL8868300 0.73 ALDH1A1 (0.59) MEN1KMT2AMAPTNPSR1TSHR
SCHEMBL8868308 0.73 MAPT (0.55) MEN1KMT2AMAPTNPSR1TSHR
SCHEMBL5271137 0.72 RAB9A (0.58) MEN1KMT2AMAPTNPSR1TSHR

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
EP-0842196-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1998-05-20 EP disclosed