SCHEMBL27401045

SCHEMBL27401045

CCCC(=O)OC(=O)CCCOc1ccc(Cl)cc1Cl

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.72
HPGD P15428 9/20 0.64
RAB9A P51151 3/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
TSHR P16473 2/20 0.64
NPC1 O15118 2/20 0.64
L3MBTL1 Q9Y468 3/20 0.60
ALDH1A1 P00352 3/20 0.60
TDP1 Q9NUW8 2/20 0.60
CYP1A2 P05177 2/20 0.60
CYP2C19 P33261 2/20 0.60
CYP3A4 P08684 1/20 0.60
NLRP1 Q9C000 1/20 0.59
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
TP53 P04637 1/20 0.54
MAPK1 P28482 1/20 0.54
GAA P10253 1/20 0.53
LMNA P02545 1/20 0.52

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
Butyric Acid SCHEMBL27401046 0.86 RAB9A (0.69) MAPTHPGDRAB9ASMN1; SMN2TSHR
SCHEMBL29435284 0.85 ALDH1A1 (0.78) MAPTHPGDRAB9ASMN1; SMN2TSHR
SCHEMBL1090743 0.84 MAPT (0.74) MAPTHPGDRAB9ASMN1; SMN2TSHR
SCHEMBL7945037 0.84 TDP1 (0.65) MAPTHPGDRAB9ASMN1; SMN2TSHR
SCHEMBL12998521 0.84 MAPT (1.00) MAPTHPGDRAB9ASMN1; SMN2TSHR
SCHEMBL9445865 0.83 MAPT (0.64) MAPTHPGDRAB9ASMN1; SMN2TSHR
SCHEMBL8389330 0.81 MAPT (0.73) MAPTHPGDRAB9ASMN1; SMN2TSHR
SCHEMBL5933855 0.81 TDP1 (0.67) MAPTHPGDRAB9ASMN1; SMN2TSHR
SCHEMBL5080164 0.81 MAPT (0.72) MAPTHPGDRAB9ASMN1; SMN2TSHR
SCHEMBL116448 0.81 RAB9A (0.78) MAPTHPGDRAB9ASMN1; SMN2TSHR

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
CN-1047287-A The alkanoylpyridinesulfonylureas of weeding DU PONT (US) 1990-11-28 CN disclosed