SCHEMBL8948902

SCHEMBL8948902

CO/C(=C/C(=O)O)c1ccccc1Oc1cccc(C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.47
MAPK1 P28482 1/20 0.47
GFER P55789 1/20 0.47
GAA P10253 3/20 0.47
ALDH1A1 P00352 3/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
NPC1 O15118 1/20 0.42
CTNNB1 P35222 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TSHR P16473 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
SCHEMBL8948894 1.00 CASP1 (0.47) CASP1MAPK1GFERGAAALDH1A1
SCHEMBL29250428 0.81 GAA (0.58) CASP1MAPK1GFERGAAALDH1A1
SCHEMBL2867681 0.81 GFER (0.59) CASP1MAPK1GFERGAAALDH1A1
SCHEMBL8954770 0.79 GAA (0.51) CASP1MAPK1GFERGAAALDH1A1
SCHEMBL9222109 0.77 CA12 (0.56) MAPK1GAAALDH1A1RAB9ASMN1; SMN2
SCHEMBL9222114 0.77 CA12 (0.56) MAPK1GAAALDH1A1RAB9ASMN1; SMN2
SCHEMBL9152430 0.77 GAA (0.47) CASP1MAPK1GFERGAAALDH1A1
SCHEMBL9152421 0.77 GAA (0.47) CASP1MAPK1GFERGAAALDH1A1
SCHEMBL27511977 0.77 POLB (0.55) CASP1MAPK1GFERGAAALDH1A1
SCHEMBL13687512 0.76 CTNNB1 (0.68) MAPK1GFERGAAALDH1A1CYP1A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5573999-A FUNGICIDES AND INSECTICIDES BASF AKTIENGESELLSCHAFT (DE) 1996-11-12 US disclosed
US-5538940-A FUNGICIDE, MITICIDE, INSECTICIDE BASF AKTIENGESELLSCHAFT (DE) 1996-07-23 US disclosed