SCHEMBL7311595

SCHEMBL7311595

CCOC(=O)CCCOc1cccc(C(=O)OC)c1NS(=O)(=O)c1ccc(OC)cc1Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 7/20 0.42
PTPN1 P18031 1/20 0.42
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MTNR1A P48039 4/20 0.39
MTNR1B P49286 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PLA2G2A P14555 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
SCHEMBL7321536 0.91 MTNR1A (0.41) LTA4HALDH1A1MTNR1AMTNR1BMEN1
SCHEMBL7324219 0.87 MEN1 (0.42) ALDH1A1LMNASMN1; SMN2MTNR1AMTNR1B
SCHEMBL7323187 0.85 MTNR1A (0.48) ALDH1A1HTTSMN1; SMN2MTNR1AMTNR1B
SCHEMBL7318337 0.85 MEN1 (0.46) ALDH1A1MTNR1AMTNR1BMEN1KMT2A
SCHEMBL7324636 0.83 ACLY (0.40) PTPN1ALDH1A1LMNASMN1; SMN2MTNR1A
SCHEMBL7323435 0.83 F2 (0.42) ALDH1A1LMNAHTTSMN1; SMN2MTNR1A
SCHEMBL7312999 0.82 MEN1 (0.45) ALDH1A1MTNR1AMTNR1BMEN1KMT2A
SCHEMBL7317223 0.82 GAA (0.41) ALDH1A1LMNAHPGDSMN1; SMN2MTNR1A
SCHEMBL7315999 0.82 MEN1 (0.46) ALDH1A1SMN1; SMN2MTNR1AMTNR1BMEN1
SCHEMBL7321080 0.82 MAPT (0.45) LMNAHTTSMN1; SMN2L3MBTL1MTNR1A

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