SCHEMBL7081231

SCHEMBL7081231

Cc1cc(C(C)(C)C)c(N(C(=O)O)S(=O)(=O)N(CC2CCCO2)CC2CCCO2)c(C(C)(C)C)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 2/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
HSD17B10 Q99714 2/20 0.39
USP2 O75604 1/20 0.39
ALOX12 P18054 1/20 0.39
HTT P42858 1/20 0.39
TP53 P04637 1/20 0.38
OXTR P30559 4/20 0.38
AVPR1A P37288 4/20 0.38
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
PER2 O15055 1/20 0.36
CRY1 Q16526 1/20 0.36
CRY2 Q49AN0 1/20 0.36

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
SCHEMBL7082049 0.73 ALDH1A1 (0.33) ALDH1A1POLB
SCHEMBL7085753 0.72 ALDH1A1 (0.35) ALDH1A1KDM4E
SCHEMBL7081888 0.72 MEN1 (0.36) TSHRMEN1KMT2A
SCHEMBL7085037 0.71 MEN1 (0.35) MEN1KMT2A
SCHEMBL7085166 0.71 MEN1 (0.35) MEN1KMT2A
SCHEMBL7086717 0.71 MEN1 (0.35) MEN1KMT2A
SCHEMBL7082062 0.70 SMN1; SMN2 (0.37) ALDH1A1POLB
SCHEMBL7085433 0.68 SMN1; SMN2 (0.40) ALDH1A1POLB
SCHEMBL12309149 0.67 HSPA5 (0.53) ALDH1A1POLBHPGDNPSR1HSD17B10
SCHEMBL7081204 0.65 THRB (0.35) MEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0592439-B1 AMINOSULFONYL CARBAMATES WARNER LAMBERT CO (US) 2003-07-30 EP disclosed
US-5336690-A Anticholesterol agents WARNER-LAMBERT COMPANY (US) 1994-08-09 US disclosed