SCHEMBL8948862

SCHEMBL8948862

COC(=O)CC(=O)c1ccccc1Oc1cccc(C)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.51
TDO2 P48775 2/20 0.51
GAA P10253 3/20 0.49
ALDH1A1 P00352 2/20 0.49
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
MAPK1 P28482 2/20 0.46
GFER P55789 1/20 0.46
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
KMT2A Q03164 2/20 0.44
CASP1 P29466 1/20 0.44
MEN1 O00255 1/20 0.44
MTNR1B P49286 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL29250428 0.83 GAA (0.58) GAAALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL8954770 0.81 GAA (0.51) GAAALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL2867681 0.80 GFER (0.59) GAAALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL13687512 0.79 CTNNB1 (0.68) GAAALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL4367747 0.78 L3MBTL1 (0.50) GAAALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL9850074 0.77 CYP2C19 (0.69) GAAALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL8948902 0.76 CASP1 (0.47) GAAALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL8948894 0.76 CASP1 (0.47) GAAALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL27511977 0.76 POLB (0.55) GAAALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL7454665 0.76 TSHR (0.60) GAAALDH1A1MAPK1NPC1RAB9A

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
US-5538940-A FUNGICIDE, MITICIDE, INSECTICIDE BASF AKTIENGESELLSCHAFT (DE) 1996-07-23 US disclosed