SCHEMBL8735087

SCHEMBL8735087

C=CCNC(=O)c1c(OC(C)(CC)CC)ccc(C)c1Cl

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.45
ALDH1A1 P00352 3/20 0.45
CYP1A2 P05177 2/20 0.39
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
RAB9A P51151 3/20 0.37
POLB P06746 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
TP53 P04637 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NPC1 O15118 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL8735082 0.89 HPGD (0.49) HPGDALDH1A1CYP1A2GAAPKM
SCHEMBL8735214 0.84 CYP1A2 (0.39) HPGDALDH1A1CYP1A2RAB9APOLB
SCHEMBL8732638 0.82 HPGD (0.63) HPGDALDH1A1CYP1A2PKMRAB9A
SCHEMBL8760487 0.78 ALDH1A1 (0.44) HPGDALDH1A1CYP1A2PKMPOLB
SCHEMBL8735032 0.78 HPGD (0.46) HPGDALDH1A1CYP1A2GAAPKM
SCHEMBL8733049 0.78 HPGD (0.46) HPGDALDH1A1CYP1A2GAAPKM
SCHEMBL8735053 0.76 HPGD (0.47) HPGDALDH1A1CYP1A2GAAPKM
SCHEMBL8732709 0.76 HPGD (0.49) HPGDALDH1A1CYP1A2GAAPKM
SCHEMBL8735094 0.73 DRD2 (0.41) HPGDALDH1A1CYP1A2RAB9APOLB
SCHEMBL8733078 0.73 HPGD (0.63) HPGDALDH1A1CYP1A2PKMRAB9A

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-0749416-B1 SELECTED BENZAMIDE FUNGICIDES FOR THE CONTROL OF TAKE-ALL DISEASE OF PLANTS MONSANTO CO (US) 1998-12-23 EP disclosed