SCHEMBL9100604

SCHEMBL9100604

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 3/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
PLA2G2C Q5R387 1/20 0.39
MAPK1 P28482 1/20 0.39
SLC12A2 P55011 1/20 0.39
SLC12A5 Q9H2X9 1/20 0.39
TP53 P04637 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MCHR1 Q99705 1/20 0.36
FKBP1A P62942 1/20 0.36
TSHR P16473 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
POLB P06746 1/20 0.35
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
SCHEMBL9100235 1.00 KMT2A (0.48) KMT2AMEN1ALDH1A1CYP3A4CYP2C9
SCHEMBL9415735 1.00 KMT2A (0.48) KMT2AMEN1ALDH1A1CYP3A4CYP2C9
SCHEMBL9102203 1.00 KMT2A (0.48) KMT2AMEN1ALDH1A1CYP3A4CYP2C9
SCHEMBL9101512 0.99 ALDH1A1 (0.49) KMT2AMEN1ALDH1A1CYP3A4CYP2C9
SCHEMBL9100518 0.96 KMT2A (0.49) KMT2AMEN1ALDH1A1CYP3A4CYP2C9
SCHEMBL9101967 0.91 ALDH1A1 (0.44) KMT2AMEN1ALDH1A1CYP3A4CYP2C9
SCHEMBL9415805 0.90 KMT2A (0.45) KMT2AMEN1ALDH1A1CYP3A4CYP2C9
SCHEMBL9415809 0.90 KMT2A (0.45) KMT2AMEN1ALDH1A1CYP3A4CYP2C9
SCHEMBL9415760 0.88 KMT2A (0.43) KMT2AMEN1ALDH1A1CYP3A4CYP2C9
SCHEMBL10972726 0.86 MEN1 (0.49) KMT2AMEN1ALDH1A1CYP3A4SLC12A2

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-5517350-A Optical component based on Langmuir-Blodgett layers HOECHST AKTIENGESELLSCHAFT (DE) 1996-05-14 US disclosed