SCHEMBL11301580

SCHEMBL11301580

CC(=O)OC(C#CI)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
CYP3A4 P08684 2/20 0.47
ALDH1A1 P00352 2/20 0.47
PABPC1 P11940 1/20 0.41
APOBEC3A P31941 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 2/20 0.38
HPGD P15428 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
CYP19A1 P11511 2/20 0.35
CYP2D6 P10635 1/20 0.35
SRC P12931 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
CASP1 P29466 1/20 0.34
HTT P42858 1/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL465593 0.80 ALDH1A1 (0.51) KMT2AMEN1CYP3A4ALDH1A1PABPC1
SCHEMBL7225521 0.80 ALDH1A1 (0.51) KMT2AMEN1CYP3A4ALDH1A1PABPC1
SCHEMBL17729332 0.80 KMT2A (0.53) KMT2AMEN1CYP3A4ALDH1A1PABPC1
SCHEMBL18367774 0.79 ALDH1A1 (0.50) KMT2AMEN1CYP3A4ALDH1A1PABPC1
SCHEMBL7699172 0.79 ALDH1A1 (0.50) KMT2AMEN1CYP3A4ALDH1A1PABPC1
SCHEMBL2835326 0.79 ALDH1A1 (0.50) KMT2AMEN1CYP3A4ALDH1A1PABPC1
SCHEMBL10402999 0.79 ALDH1A1 (0.50) KMT2AMEN1CYP3A4ALDH1A1PABPC1
SCHEMBL7701505 0.78 KMT2A (0.57) KMT2AMEN1CYP3A4ALDH1A1PABPC1
SCHEMBL1977821 0.76 ALDH1A1 (0.55) KMT2AMEN1CYP3A4ALDH1A1PABPC1
SCHEMBL11819694 0.75 DPP4 (0.33) CYP3A4ALDH1A1TSHRCYP2D6SRC

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-4259350-A PROTECTING DEGRADABLE ORGANIC MATERIAL FROM FUNGAL OR INSECT ATTACK SANKYO COMPANY LIMITED (JP) 1981-03-31 US disclosed