SCHEMBL7085756

SCHEMBL7085756

COc1cc(C(C)(C)C)c(N(C(=O)O)S(=O)(=O)Cl)c(C(C)(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
LPAR1 Q92633 1/20 0.36
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
EGFR P00533 1/20 0.33
KCNJ6 P48051 1/20 0.33
KCNJ5 P48544 1/20 0.33
KCNJ3 P48549 1/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
STAT1 P42224 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
MEN1 O00255 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
IDH1 O75874 1/20 0.32

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
SCHEMBL7085433 0.83 SMN1; SMN2 (0.40) CA2ALDH1A1SMN1; SMN2
SCHEMBL9139069 0.78 CA2 (0.38) CA2ALDH1A1TSHR
SCHEMBL9316222 0.77 CA2 (0.40) CA1CA2LMNAMEN1TSHR
SCHEMBL7080910 0.73 TACR1 (0.39) CA1CA2MEN1KMT2A
SCHEMBL7085235 0.72 LPAR1 (0.41) LPAR1
SCHEMBL9452056 0.68 ALDH1A1 (0.36) CA2ALDH1A1NPC1RAB9ATSHR
SCHEMBL9452033 0.68 ALDH1A1 (0.33) CA2ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL9333721 0.68 LPAR1 (0.46) LPAR1
SCHEMBL7168915 0.67 ALDH1A1 (0.34) ALDH1A1
SCHEMBL7029847 0.67 CA1 (0.55) CA1CA2ALDH1A1EGFRLMNA

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 5 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
EP-0592439-A1 AMINOSULFONYL CARBAMATES WARNER-LAMBERT COMPANY (US) 1994-04-20 EP disclosed
US-5254715-A Anticholesterol agents WARNER-LAMBERT COMPANY (US) 1993-10-19 US disclosed
WO-1992008693-A1 AMINOSULFONYL CARBAMATES WARNER-LAMBERT COMPANY (US) 1992-05-29 WO disclosed