SCHEMBL18900536

SCHEMBL18900536

Cc1ccc(S(=O)(=O)OC(CC(C)(C)C)C(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ CYP24A1 Q07973 1/20 0.40
▸ CA2 P00918 5/20 0.40
▸ CA1 P00915 4/20 0.40
▸ CA9 Q16790 4/20 0.38
▸ CA7 P43166 2/20 0.38
▸ PSEN1 P49768 1/20 0.38
▸ PSEN2 P49810 1/20 0.38
▸ APH1B Q8WW43 1/20 0.38
▸ NCSTN Q92542 1/20 0.38
▸ APH1A Q96BI3 1/20 0.38
▸ PSENEN Q9NZ42 1/20 0.38
▸ GAA P10253 2/20 0.37
▸ GBA1 P04062 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ DHODH Q02127 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
SCHEMBL14778660 0.83 CA2 (0.42) ALDH1A1KMT2AMEN1CYP24A1CA2
SCHEMBL18900446 0.81 CA2 (0.43) ALDH1A1KMT2AMEN1CYP24A1CA2
SCHEMBL5275738 0.79 CA2 (0.50) ALDH1A1KMT2AMEN1CYP24A1CA2
SCHEMBL11185625 0.79 DHODH (0.39) ALDH1A1KMT2AMEN1CYP24A1CA2
SCHEMBL11188915 0.79 DHODH (0.39) ALDH1A1KMT2AMEN1CYP24A1CA2
SCHEMBL11703994 0.79 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1CYP24A1CA2
SCHEMBL13160690 0.78 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1CYP24A1CA2
SCHEMBL20987329 0.78 CYP24A1 (0.38) ALDH1A1KMT2AMEN1CYP24A1CA2
SCHEMBL6936826 0.78 GBA1 (0.40) ALDH1A1KMT2AMEN1CYP24A1CA2
SCHEMBL14779262 0.78 GAA (0.46) ALDH1A1KMT2AMEN1CA2CA1

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-3219503-A1 PROCESS FOR MANUFACTURING A LASER MARKABLE PACKAGING AGFA-GEVAERT (BE) 2017-09-20 — — EP disclosed
EP-3173246-A1 INKJET INK SET FOR A METHOD OF MANUFACTURING A PACKAGING Agfa Graphics NV (BE) 2017-05-31 — — EP disclosed
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