SCHEMBL7315552

SCHEMBL7315552

COc1ccc(S(=O)(=O)Nc2c(OC(C)C)cccc2C(=O)O)c(Cc2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
MCL1 Q07820 2/20 0.43
ALDH1A1 P00352 4/20 0.42
BCL2L1 Q07817 1/20 0.42
MTNR1A P48039 2/20 0.41
MTNR1B P49286 2/20 0.41
GAA P10253 2/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RAB9A P51151 1/20 0.39
FABP4 P15090 1/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39

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
SCHEMBL7317547 0.94 MEN1 (0.42) MEN1KMT2AMCL1ALDH1A1MTNR1A
SCHEMBL7317804 0.91 KMT2A (0.54) MEN1KMT2AMCL1ALDH1A1BCL2L1
SCHEMBL7322098 0.88 MTNR1A (0.48) MEN1KMT2AMTNR1AMTNR1BGAA
SCHEMBL7314673 0.87 MEN1 (0.48) MEN1KMT2AMCL1ALDH1A1BCL2L1
SCHEMBL7313454 0.86 ACLY (0.51) MEN1KMT2AMCL1ALDH1A1BCL2L1
SCHEMBL7325264 0.86 MEN1 (0.47) MEN1KMT2AMCL1ALDH1A1BCL2L1
SCHEMBL7315999 0.85 MEN1 (0.46) MEN1KMT2AMCL1ALDH1A1BCL2L1
SCHEMBL7318337 0.84 MEN1 (0.46) MEN1KMT2AALDH1A1MTNR1AMTNR1B
SCHEMBL7318735 0.84 KMT2A (0.46) MEN1KMT2AMCL1ALDH1A1BCL2L1
SCHEMBL7351226 0.84 MEN1 (0.48) MEN1KMT2AMCL1ALDH1A1BCL2L1

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