SCHEMBL9415809

SCHEMBL9415809

Cc1ccc(S(=O)(=O)CCCCCCCCCCCCOC2CCCCO2)cc1.OCCCCCCCCCCCCBr

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.45
MEN1 O00255 2/20 0.45
ALDH1A1 P00352 3/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
CA2 P00918 2/20 0.38
PLA2G2C Q5R387 1/20 0.35
FKBP1A P62942 1/20 0.33
MAPK1 P28482 1/20 0.33
SLC12A2 P55011 1/20 0.33
SLC12A5 Q9H2X9 1/20 0.33
GAA P10253 2/20 0.32
HSD17B10 Q99714 1/20 0.32
MCHR1 Q99705 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL9415805 1.00 KMT2A (0.45) KMT2AMEN1ALDH1A1CYP3A4CYP2C9
SCHEMBL9415735 0.90 KMT2A (0.48) KMT2AMEN1ALDH1A1CYP3A4CYP2C9
SCHEMBL9100235 0.90 KMT2A (0.48) KMT2AMEN1ALDH1A1CYP3A4CYP2C9
SCHEMBL9102203 0.90 KMT2A (0.48) KMT2AMEN1ALDH1A1CYP3A4CYP2C9
SCHEMBL9100604 0.90 KMT2A (0.48) KMT2AMEN1ALDH1A1CYP3A4CYP2C9
SCHEMBL9415760 0.89 KMT2A (0.43) KMT2AMEN1ALDH1A1CYP3A4CYP2C9
SCHEMBL9101512 0.89 ALDH1A1 (0.49) KMT2AMEN1ALDH1A1CYP3A4CYP2C9
SCHEMBL9100518 0.86 KMT2A (0.49) KMT2AMEN1ALDH1A1CYP3A4CYP2C9
SCHEMBL9101967 0.82 ALDH1A1 (0.44) KMT2AMEN1ALDH1A1CYP3A4CYP2C9
SCHEMBL8645521 0.79 KMT2A (0.51) KMT2AMEN1ALDH1A1POLB

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-0596325-A1 Optical element with Langmuir-Blodgett layers HOECHST AKTIENGESELLSCHAFT (DE) 1994-05-11 EP disclosed