SCHEMBL7787828

SCHEMBL7787828

C=C(CCCS(=O)(=O)c1ccc(Cl)cc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.50
KMT2A Q03164 8/20 0.48
NPC1 O15118 1/20 0.46
MMP1 P03956 1/20 0.46
POLB P06746 2/20 0.44
MEN1 O00255 4/20 0.43
ALDH1A1 P00352 3/20 0.43
HTT P42858 2/20 0.43
GAA P10253 1/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
RECQL P46063 1/20 0.42
MAPT P10636 1/20 0.42
GRK2 P25098 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL7075097 0.84 ALDH1A1 (0.61) KMT2APOLBALDH1A1GAAKDM4E
SCHEMBL6383948 0.81 HTT (0.64) HSD11B1KMT2AMMP1POLBMEN1
SCHEMBL10580753 0.78 HDAC1 (0.53) HSD11B1KMT2ANPC1MMP1POLB
SCHEMBL10583534 0.78 HDAC1 (0.53) HSD11B1KMT2ANPC1MMP1POLB
SCHEMBL442914 0.77 HDAC3 (0.51) KMT2AMEN1SMN1; SMN2
SCHEMBL1940753 0.76 HSD11B1 (0.63) HSD11B1KMT2ANPC1MMP1POLB
SCHEMBL6789657 0.76 NPC1 (0.56) HSD11B1NPC1MMP1ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL11259807 0.76 HDAC3 (0.50) KMT2AMEN1SMN1; SMN2
SCHEMBL10724186 0.74 ALDH1A1 (0.48) HSD11B1KMT2ANPC1MMP1POLB
SCHEMBL7072972 0.74 KMT2A (0.56) KMT2APOLBALDH1A1HTTGAA

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
JP-2001071640-A RECORDING MATERIAL ASAHI DENKA KOGYO KK 2001-03-21 JP disclosed