SCHEMBL8949014

SCHEMBL8949014

CO/C(=C/C(=O)O)c1cccc2ccc(-c3ccccc3)cc12

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 4/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MTNR1A P48039 2/20 0.42
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
PLAU P00749 2/20 0.39
MTNR1B P49286 1/20 0.39
DHODH Q02127 1/20 0.37
EGFR P00533 1/20 0.37
NR4A1 P22736 1/20 0.37
NR4A3 Q92570 1/20 0.37
BACE1 P56817 1/20 0.37
PLK1 P53350 1/20 0.37
AKR1C2 P52895 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.37

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
SCHEMBL8949018 1.00 NR4A2 (0.43) NR4A2ALDH1A1HPGDSMN1; SMN2MTNR1A
SCHEMBL8949021 1.00 NR4A2 (0.43) NR4A2ALDH1A1HPGDSMN1; SMN2MTNR1A
SCHEMBL9214778 0.91 NR4A2 (0.44) NR4A2ALDH1A1HPGDSMN1; SMN2MTNR1A
SCHEMBL8948989 0.84 MTNR1A (0.44) NR4A2ALDH1A1MTNR1APLAUNR4A1
SCHEMBL8948985 0.84 MTNR1A (0.44) NR4A2ALDH1A1MTNR1APLAUNR4A1
SCHEMBL8948979 0.84 MTNR1A (0.44) NR4A2ALDH1A1MTNR1APLAUNR4A1
SCHEMBL8948885 0.83 MTNR1A (0.43) NR4A2ALDH1A1HPGDMTNR1APLAU
SCHEMBL8948874 0.83 MTNR1A (0.43) NR4A2ALDH1A1HPGDMTNR1APLAU
SCHEMBL8948898 0.83 MTNR1A (0.43) NR4A2ALDH1A1HPGDMTNR1APLAU
SCHEMBL8948942 0.79 MRGPRX4 (0.43) SMN1; SMN2MTNR1A

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