SCHEMBL7318337

SCHEMBL7318337

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

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MTNR1B P49286 5/20 0.42
MTNR1A P48039 5/20 0.42
FABP4 P15090 1/20 0.41
LTB4R Q15722 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
ALDH1A1 P00352 2/20 0.40
WDR5 P61964 1/20 0.40
GAA P10253 1/20 0.40
SQSTM1 Q13501 1/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
F2 P00734 1/20 0.39
ELANE P08246 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
SCHEMBL7312999 0.97 MEN1 (0.45) MEN1KMT2AMTNR1BMTNR1AFABP4
SCHEMBL7315999 0.92 MEN1 (0.46) MEN1KMT2AMTNR1BMTNR1APTGDR2
SCHEMBL7325264 0.91 MEN1 (0.47) MEN1KMT2AMTNR1BMTNR1APTGDR2
SCHEMBL7314673 0.90 MEN1 (0.48) MEN1KMT2AMTNR1BMTNR1AFABP4
SCHEMBL7322098 0.89 MTNR1A (0.48) MEN1KMT2AMTNR1BMTNR1AFABP4
SCHEMBL7317804 0.89 KMT2A (0.54) MEN1KMT2AMTNR1BMTNR1AFABP4
SCHEMBL7321200 0.86 MEN1 (0.44) MEN1KMT2AMTNR1BMTNR1APTGDR2
SCHEMBL7318735 0.86 KMT2A (0.46) MEN1KMT2AMTNR1BMTNR1AFABP4
SCHEMBL7321536 0.85 MTNR1A (0.41) MEN1KMT2AMTNR1BMTNR1APTGDR2
SCHEMBL7311595 0.85 LTA4H (0.42) 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