SCHEMBL6349229

SCHEMBL6349229

C=C(C)C(CCOC(=O)N1C(=O)c2cccc3cccc(c23)C1=O)OO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.44
ALDH1A1 P00352 5/20 0.44
KMT2A Q03164 5/20 0.44
MEN1 O00255 3/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
TDP1 Q9NUW8 1/20 0.39
CYP1A2 P05177 1/20 0.39
MAPT P10636 1/20 0.39
AKR1B1 P15121 1/20 0.39
ALOX15 P16050 1/20 0.39
CYP1B1 Q16678 1/20 0.38
RXFP1 Q9HBX9 3/20 0.38
ERCC1 P07992 1/20 0.38
FEN1 P39748 1/20 0.38
ERCC4 Q92889 1/20 0.38
HEXA P06865 2/20 0.36
HEXB P07686 2/20 0.36
POLB P06746 3/20 0.36
GAA P10253 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
SCHEMBL6347671 0.80 HEXA (0.54) KDM4EALDH1A1KMT2AMEN1HPGD
SCHEMBL6345866 0.80 KDM4E (0.49) KDM4EALDH1A1KMT2AMEN1HPGD
SCHEMBL18485429 0.78 TDP1 (0.55) KDM4EALDH1A1KMT2AMEN1HPGD
SCHEMBL18485418 0.76 ALDH1A1 (0.56) KDM4EALDH1A1KMT2AMEN1HPGD
SCHEMBL12257025 0.73 HEXA (0.48) KDM4EALDH1A1KMT2AMEN1HSD17B10
SCHEMBL18485459 0.71 FGFR1 (0.51) KDM4EALDH1A1KMT2AMEN1HPGD
SCHEMBL18485439 0.70 ALDH1A1 (0.59) KDM4EALDH1A1KMT2AMEN1HPGD
SCHEMBL25583410 0.69 CTRB1 (0.60) KDM4EALDH1A1KMT2AMEN1HPGD
SCHEMBL9348435 0.68 ALDH1A1 (0.76) KDM4EALDH1A1KMT2AMEN1HPGD
SCHEMBL12922803 0.67 ALDH1A1 (0.51) ALDH1A1HPGDMAPTALOX15

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
US-8173226-B2 Polymerizable compound , polyethylene glycol mono(meth)acrylate, a polystyrene oligomer having a methacryloyl group at one terminal, acrylic macromonomer imides FUJIFILM CORPORATION (JP) 2012-05-08 US disclosed