SCHEMBL8948898

SCHEMBL8948898

COC(=CC(=O)O)c1cccc2ccc(Br)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
RXFP1 Q9HBX9 1/20 0.40
RRM1 P23921 2/20 0.39
NR4A2 P43354 1/20 0.38
KDM4E B2RXH2 4/20 0.38
GAA P10253 3/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 1/20 0.38
CHEK1 O14757 1/20 0.38
PLAU P00749 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TRPV1 Q8NER1 1/20 0.36
MTNR1B P49286 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
RAB9A P51151 1/20 0.36
MMP3 P08254 1/20 0.36

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
SCHEMBL8948874 1.00 MTNR1A (0.43) MTNR1AL3MBTL1MEN1KMT2ARXFP1
SCHEMBL8948885 1.00 MTNR1A (0.43) MTNR1AL3MBTL1MEN1KMT2ARXFP1
SCHEMBL9213636 0.89 MTNR1A (0.43) MTNR1AL3MBTL1MEN1KMT2ARXFP1
SCHEMBL9222769 0.89 MTNR1A (0.43) MTNR1AL3MBTL1MEN1KMT2ARXFP1
SCHEMBL8948989 0.85 MTNR1A (0.44) MTNR1AMEN1KMT2ANR4A2KDM4E
SCHEMBL8948985 0.85 MTNR1A (0.44) MTNR1AMEN1KMT2ANR4A2KDM4E
SCHEMBL8948979 0.85 MTNR1A (0.44) MTNR1AMEN1KMT2ANR4A2KDM4E
SCHEMBL8949021 0.83 NR4A2 (0.43) MTNR1ANR4A2ALDH1A1PLAUHPGD
SCHEMBL8949014 0.83 NR4A2 (0.43) MTNR1ANR4A2ALDH1A1PLAUHPGD
SCHEMBL8949018 0.83 NR4A2 (0.43) MTNR1ANR4A2ALDH1A1PLAUHPGD

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