SCHEMBL28880248

SCHEMBL28880248

O=C(O)C(O)c1cc(-c2cccs2)n(-c2ccccc2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
FABP4 P15090 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
GAA P10253 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
PTGS2 P35354 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALOX15 P16050 1/20 0.40

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
SCHEMBL23317015 0.82 ALDH1A1 (0.49) FABP3SMN1; SMN2FABP4L3MBTL1CA1
SCHEMBL23531077 0.81 RPA1 (0.59) FABP3FABP4L3MBTL1KMT2AMEN1
SCHEMBL27796494 0.76 PTGS2 (0.39) FABP3SMN1; SMN2FABP4L3MBTL1CA1
SCHEMBL27977719 0.71 SMN1; SMN2 (0.36) FABP3SMN1; SMN2FABP4L3MBTL1CA1
SCHEMBL24486481 0.70 CNR1 (0.47) FABP3SMN1; SMN2FABP4KMT2AMEN1
SCHEMBL27796491 0.70 RXFP1 (0.40) FABP3SMN1; SMN2FABP4L3MBTL1CA1
SCHEMBL15070247 0.69 KDM4E (0.50) FABP3SMN1; SMN2FABP4L3MBTL1KDM4E
SCHEMBL6341875 0.68 PTGS2 (0.67) CA1CA2CA9ALDH1A1PTGS2
SCHEMBL15070250 0.68 USP8 (0.60) FABP3SMN1; SMN2FABP4L3MBTL1CA1
SCHEMBL3234352 0.68 CNR1 (0.42) FABP3SMN1; SMN2FABP4L3MBTL1CA1

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
CN-115135152-A 1, 5-diphenylpyrazolyl-3-oxyalkyl acids and 1-phenyl-5-thienylpyrazolyl-3-oxyalkyl acids and their use for controlling undesired vegetation 拜耳公司 2022-09-30 CN disclosed