SCHEMBL8900356

SCHEMBL8900356

CCC(CC)(COC)C(F)(F)CCCOS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMD10 O75832 1/20 0.36
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA9 Q16790 1/20 0.34
ALDH1A1 P00352 4/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
CYP24A1 Q07973 2/20 0.34
BCHE P06276 2/20 0.33
ACHE P22303 2/20 0.33
CASP3 P42574 1/20 0.33
CASP7 P55210 1/20 0.33
G6PD P11413 1/20 0.33
PTPN1 P18031 1/20 0.33
STAT3 P40763 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAPT P10636 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
SCHEMBL2348771 0.83 PSMD10 (0.41) PSMD10CA12CA1CA9ALDH1A1
SCHEMBL20128922 0.81 CYP24A1 (0.39) PSMD10CA12CA1CA9ALDH1A1
SCHEMBL13886464 0.80 ALDH1A1 (0.41) PSMD10CA12CA1CA9ALDH1A1
SCHEMBL283084 0.80 ALDH1A1 (0.41) PSMD10CA12CA1CA9ALDH1A1
SCHEMBL15270828 0.78 CA12 (0.40) PSMD10CA12CA1CA9ALDH1A1
SCHEMBL6853749 0.78 ALDH1A1 (0.38) PSMD10CA12CA1CA9ALDH1A1
SCHEMBL6852562 0.78 ALDH1A1 (0.38) PSMD10CA12CA1CA9ALDH1A1
SCHEMBL4588419 0.78 PSMD10 (0.39) PSMD10CA12CA1CA9ALDH1A1
SCHEMBL2244715 0.78 PSMD10 (0.39) PSMD10CA12CA1CA9ALDH1A1
SCHEMBL5854898 0.78 PSMD10 (0.39) PSMD10CA12CA1CA9ALDH1A1

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-5612325-A ANTIINFLAMMATORY AND IMMUNOMODULATING EFFECTS Leo Pharmaceutical Products Ltd. A/S (L.o slashed.vens Kemiske Fabrik Produktionsaktieselskab) (DK) 1997-03-18 US disclosed