SCHEMBL9316798

SCHEMBL9316798

COc1ccccc1C(C)c1cc(C)ccc1S(=O)(=O)O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LPAR1 Q92633 6/20 0.42
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ ACHE P22303 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ ALPL P05186 1/20 0.39
▸ KCNK3 O14649 1/20 0.39
▸ KCNK9 Q9NPC2 1/20 0.39
▸ TSHR P16473 1/20 0.38
▸ MCOLN3 Q8TDD5 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ MEP1B Q16820 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ GAA P10253 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
SCHEMBL30716899 0.85 LMNA (0.38) ALDH1A1KMT2ALMNAMAPTTSHR
SCHEMBL5189158 0.80 ATM (0.42) ALDH1A1KMT2ALMNAMAPTGAA
SCHEMBL5310249 0.76 LMNA (0.34) CA1CA2ALDH1A1KMT2ALMNA
SCHEMBL10608062 0.76 MEN1 (0.39) ALDH1A1KMT2ALMNA
SCHEMBL9756282 0.75 TSHR (0.42) LPAR1ALDH1A1KMT2ALMNAMAPT
SCHEMBL9101570 0.75 LMNA (0.38) ALDH1A1KMT2ALMNAMAPTTSHR
SCHEMBL6367227 0.75 MCOLN3 (0.55) ACHEALDH1A1KMT2ALMNAMAPT
SCHEMBL30667146 0.75 LMNA (0.38) ALDH1A1KMT2ALMNAMAPTTSHR
SCHEMBL531432 0.75 LMNA (0.47) ACHEALDH1A1KMT2ALMNAMAPT
SCHEMBL30666645 0.75 LMNA (0.38) ALDH1A1KMT2ALMNAMAPTTSHR

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-0603314-A4 CHEMICAL COMPOUNDS. SMITHKLINE BEECHAM CORP (US) 1994-08-24 — — EP disclosed
EP-0603314-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1994-06-29 — — EP disclosed
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