SCHEMBL10583115

SCHEMBL10583115

O=C(O)CCCCCCCS(=O)(=O)Cc1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.54
MEN1 O00255 2/20 0.51
HTT P42858 1/20 0.51
LTB4R Q15722 2/20 0.46
ALDH1A1 P00352 2/20 0.43
POLB P06746 1/20 0.43
FABP4 P15090 1/20 0.41
MAPT P10636 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
FFAR1 O14842 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40

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
SCHEMBL10580381 1.00 KMT2A (0.54) KMT2AMEN1HTTLTB4RALDH1A1
SCHEMBL10580642 1.00 KMT2A (0.54) KMT2AMEN1HTTLTB4RALDH1A1
SCHEMBL7008951 0.87 KMT2A (0.70) KMT2AMEN1HTTALDH1A1POLB
SCHEMBL10583160 0.86 LTB4R (0.51) KMT2AMEN1HTTLTB4RALDH1A1
SCHEMBL10583969 0.86 LTB4R (0.51) KMT2AMEN1HTTLTB4RALDH1A1
SCHEMBL1007571 0.85 MAPT (0.58) KMT2AMEN1HTTALDH1A1POLB
SCHEMBL9813452 0.79 TBXA2R (0.53) KMT2AMEN1HTTALDH1A1MAPT
SCHEMBL10584743 0.79 KMT2A (0.51) KMT2AMEN1HTTALDH1A1MAPT
SCHEMBL10584735 0.79 KMT2A (0.51) KMT2AMEN1HTTALDH1A1MAPT
SCHEMBL10800449 0.78 KMT2A (0.57) KMT2AMEN1HTTALDH1A1POLB

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-0301421-A2 Sulfur compounds, process for their preparation and medicines Roche Diagnostics GmbH (DE) 1989-02-01 EP disclosed