SCHEMBL9197115

SCHEMBL9197115

CC1=C(C(=O)Nc2cc(C(=O)O)c(Cl)c(C(C)C)c2)SCCS1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.37
HTT P42858 2/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
BCL2 P10415 1/20 0.33
MAPT P10636 3/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
RECQL P46063 1/20 0.32
SORT1 Q99523 1/20 0.32
KCNK3 O14649 1/20 0.31
KCNK9 Q9NPC2 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
NTRK1 P04629 1/20 0.31

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
SCHEMBL9198227 0.84 MAPK1 (0.56) MAPK1HSD17B10MEN1KMT2ANPC1
SCHEMBL9198069 0.80 KMT2A (0.42) GAAHTTLMNAMAPK1HSD17B10
SCHEMBL9204514 0.75 TDP1 (0.51) GAAHTTLMNAHSD17B10BCL2
SCHEMBL9198091 0.75 HTT (0.66) GAAHTTLMNABCL2MAPT
SCHEMBL9203707 0.75 DHODH (0.56) GAAHTTLMNABCL2HPGD
SCHEMBL9201772 0.74 GAA (0.37) GAAHTTLMNAMAPK1HSD17B10
SCHEMBL9199865 0.74 PKM (0.53) LMNAMAPTHPGDL3MBTL1MEN1
SCHEMBL9204272 0.74 AKR1C3 (0.57) GAALMNAMAPK1MAPTKDM4E
SCHEMBL9200578 0.74 HPGD (0.49) GAAHTTLMNAMAPK1MAPT
SCHEMBL9205680 0.73 SMN1; SMN2 (0.53) HTTLMNAMAPK1HSD17B10MAPT

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-0497816-B1 TREATMENT OF HIV INFECTIONS AND COMPOUNDS USEFUL THEREIN UNIROYAL CHEMICAL LTD (CA) 1995-05-17 EP claimed