SCHEMBL7325264

SCHEMBL7325264

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

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MTNR1B P49286 3/20 0.41
MTNR1A P48039 3/20 0.41
ALDH1A1 P00352 3/20 0.41
GAA P10253 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40
MGAT2 Q10469 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
MCL1 Q07820 2/20 0.39
BCL2A1 Q16548 1/20 0.39
BCL2L1 Q07817 1/20 0.39
BRS3 P32247 1/20 0.39
WDR5 P61964 1/20 0.39
EDNRB P24530 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL7315999 0.95 MEN1 (0.46) MEN1KMT2AMTNR1BMTNR1AALDH1A1
SCHEMBL7324219 0.94 MEN1 (0.42) MEN1KMT2AMTNR1BMTNR1AALDH1A1
SCHEMBL7318337 0.91 MEN1 (0.46) MEN1KMT2AMTNR1BMTNR1AALDH1A1
SCHEMBL7322098 0.91 MTNR1A (0.48) MEN1KMT2AMTNR1BMTNR1AGAA
SCHEMBL7317804 0.90 KMT2A (0.54) MEN1KMT2AMTNR1BMTNR1AALDH1A1
SCHEMBL7312999 0.90 MEN1 (0.45) MEN1KMT2AMTNR1BMTNR1AALDH1A1
SCHEMBL7314673 0.90 MEN1 (0.48) MEN1KMT2AMTNR1BMTNR1AALDH1A1
SCHEMBL7321200 0.88 MEN1 (0.44) MEN1KMT2AMTNR1BMTNR1AALDH1A1
SCHEMBL7318735 0.87 KMT2A (0.46) MEN1KMT2AMTNR1BMTNR1AALDH1A1
SCHEMBL7315552 0.86 MEN1 (0.48) MEN1KMT2AMTNR1BMTNR1AALDH1A1

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