SCHEMBL7987112

SCHEMBL7987112

CCCS(=O)(=O)NC(=O)c1ccccc1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.58
HPGD P15428 2/20 0.51
STAT3 P40763 2/20 0.51
TP53 P04637 2/20 0.51
LMNA P02545 2/20 0.51
GLA P06280 1/20 0.51
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
SLC6A9 P48067 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MAPT P10636 2/20 0.49
MAPK1 P28482 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
KCNK3 O14649 2/20 0.49
KCNK9 Q9NPC2 2/20 0.49
ALDH1A1 P00352 1/20 0.48
GAA P10253 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
TSHR P16473 1/20 0.48

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
SCHEMBL7973351 0.89 CTSD (0.63) CTSDHPGDSTAT3TP53LMNA
SCHEMBL7984835 0.87 HCRTR1 (0.60) HPGDLMNARAB9AMAPTMAPK1
SCHEMBL7983714 0.85 ALDH1A1 (0.54) TP53LMNASMN1; SMN2MAPTMAPK1
SCHEMBL7990897 0.80 F2R (0.46) HPGDLMNAMAPTMEN1KMT2A
SCHEMBL7983472 0.80 FLT1 (0.52) HPGDNPC1RAB9ASLC6A9SMN1; SMN2
SCHEMBL2169790 0.80 CTSD (0.62) CTSDHPGDSTAT3TP53LMNA
SCHEMBL30744822 0.80 CTSD (0.62) CTSDHPGDSTAT3TP53LMNA
SCHEMBL7990936 0.79 HPGD (0.55) HPGDLMNANPC1RAB9ASMN1; SMN2
SCHEMBL7991909 0.79 HPGD (0.56) HPGDTP53LMNANPC1RAB9A
SCHEMBL7973458 0.79 ALDH1A1 (0.49) HPGDNPC1RAB9ASMN1; SMN2MAPT

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-6331628-B1 REACTING A SUBSTITUTED HALOBENZENE WITH POTASSIUM, SODIUM AND/OR ZINC CYANIDE IN THE PRESENCE OF A METALLIC CATALYST NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2001-12-18 US disclosed