SCHEMBL9199236

SCHEMBL9199236

CC(C)OC(=S)Nc1cc(C(=O)O)c(Cl)c(C(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
RECQL P46063 1/20 0.39
GAA P10253 5/20 0.38
HTT P42858 2/20 0.38
LMNA P02545 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 2/20 0.36
ALOX12 P18054 2/20 0.36
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
BCL2 P10415 1/20 0.34
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
POLB P06746 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP2C9 P11712 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL9200578 0.86 HPGD (0.49) MAPTRECQLGAAHTTLMNA
SCHEMBL9196782 0.85 MAPT (0.38) MAPTRECQLGAALMNANPC1
SCHEMBL9207049 0.83 GAA (0.36) MAPTRECQLGAAHTTLMNA
SCHEMBL9199383 0.83 HPGD (0.47) MAPTRECQLGAAHTTLMNA
SCHEMBL9205543 0.82 ALDH1A1 (0.39) MAPTRECQLGAAHTTLMNA
SCHEMBL9206016 0.80 MEN1 (0.40) NPC1RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL9199834 0.80 GPR35 (0.38) MAPTRECQLHTTLMNANPC1
SCHEMBL9198647 0.80 ACHE (0.37) MAPTRECQLGAAHTTLMNA
SCHEMBL9206141 0.78 MAPT (0.58) MAPTRECQLGAALMNANPC1
SCHEMBL9201424 0.78 LMNA (0.49) MAPTRECQLGAAHTTLMNA

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