SCHEMBL7314673

SCHEMBL7314673

COc1ccc(S(=O)(=O)Nc2c(OCC(=O)O)cccc2C(=O)O)c(Cc2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
GAA P10253 2/20 0.45
POLB P06746 1/20 0.45
TSHR P16473 1/20 0.45
F2 P00734 2/20 0.42
ELANE P08246 2/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.42
MAPT P10636 1/20 0.42
ALDH1A1 P00352 3/20 0.42
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
SGMS1 Q86VZ5 1/20 0.41
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
FABP4 P15090 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
BCL2L1 Q07817 1/20 0.40
MCL1 Q07820 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
SCHEMBL7322098 0.91 MTNR1A (0.48) MEN1KMT2AGAAPOLBMAPT
SCHEMBL7317804 0.91 KMT2A (0.54) MEN1KMT2AGAAPTGDR2MAPT
SCHEMBL7318337 0.90 MEN1 (0.46) MEN1KMT2AGAAF2ELANE
SCHEMBL7325264 0.90 MEN1 (0.47) MEN1KMT2AGAAPTGDR2ALDH1A1
SCHEMBL7312999 0.89 MEN1 (0.45) MEN1KMT2AGAAF2ELANE
SCHEMBL7315999 0.89 MEN1 (0.46) MEN1KMT2AGAAPTGDR2ALDH1A1
SCHEMBL7318735 0.88 KMT2A (0.46) MEN1KMT2AGAAPTGDR2ALDH1A1
SCHEMBL7315552 0.87 MEN1 (0.48) MEN1KMT2AGAAPTGDR2ALDH1A1
SCHEMBL7321200 0.87 MEN1 (0.44) MEN1KMT2AGAAPOLBF2
SCHEMBL7313454 0.86 ACLY (0.51) MEN1KMT2AGAAPOLBTSHR

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-5929097-A INHIBIT TUMOR NECROSIS FACTOR-ALPHA CONVERTING ENZYME AMERICAN CYANAMID COMPANY (US) 1999-07-27 US disclosed