SCHEMBL7055992

SCHEMBL7055992

CCCCCCOCNC[O]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.47
MEN1 O00255 1/20 0.45
THRB P10828 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
MAPT P10636 1/20 0.45
EPHX1 P07099 1/20 0.41
PLA2G2C Q5R387 1/20 0.40
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
USP2 O75604 1/20 0.39
CA1 P00915 8/20 0.39
CA2 P00918 8/20 0.39
CA9 Q16790 7/20 0.39
LPAR3 Q9UBY5 3/20 0.39
CA12 O43570 3/20 0.39
CA7 P43166 3/20 0.39
CA14 Q9ULX7 3/20 0.39
LPAR1 Q92633 2/20 0.39
LPAR2 Q9HBW0 2/20 0.39

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
SCHEMBL11895685 0.85 CES2 (0.48) CES2MEN1THRBHTTKMT2A
SCHEMBL19033096 0.84 CES2 (0.48) CES2MEN1THRBHTTKMT2A
SCHEMBL19834962 0.82 CES2 (0.47) CES2MEN1THRBHTTKMT2A
SCHEMBL25681638 0.80 MEN1 (0.48) CES2MEN1THRBHTTKMT2A
SCHEMBL7055994 0.80 MEN1 (0.54) CES2MEN1THRBHTTKMT2A
SCHEMBL5932211 0.78 TSHR (0.50) CES2MEN1THRBHTTKMT2A
SCHEMBL11895300 0.78 TSHR (0.48) CES2MEN1THRBHTTKMT2A
SCHEMBL14256197 0.77 TSHR (0.52) CES2MEN1THRBHTTKMT2A
Propane SCHEMBL9080458 0.77 THRB (0.67) CES2MEN1THRBHTTKMT2A
Propane SCHEMBL27695023 0.77 THRB (0.67) CES2MEN1THRBHTTKMT2A

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-1304325-A1 5-(M-CYANOBENZYLAMINO)PYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-04-23 EP disclosed