SCHEMBL21035449

SCHEMBL21035449

O=C(O)C1CN(C(c2ccc(C(F)(F)F)cc2)C2CC2)CCN1S(=O)(=O)c1ccc(OCC2CCCCC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.41
ADAM17 P78536 1/20 0.41
BRD4 O60885 2/20 0.39
ITGB1 P05556 2/20 0.38
ITGA4 P13612 2/20 0.38
PSEN1 P49768 2/20 0.38
PSEN2 P49810 2/20 0.38
APH1B Q8WW43 2/20 0.38
NCSTN Q92542 2/20 0.38
APH1A Q96BI3 2/20 0.38
PSENEN Q9NZ42 2/20 0.38
HCRTR1 O43613 2/20 0.38
HCRTR2 O43614 2/20 0.38
KCNQ1 P51787 1/20 0.38
FFAR1 O14842 7/20 0.37
MAPT P10636 1/20 0.37
BRD2 P25440 1/20 0.36
PARP15 Q460N3 1/20 0.36
PARP10 Q53GL7 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
SCHEMBL21035367 0.98 MMP1 (0.41) MMP1ADAM17BRD4ITGB1ITGA4
SCHEMBL21035451 0.92 HCRTR1 (0.41) MMP1ADAM17BRD4ITGB1ITGA4
SCHEMBL21035326 0.91 MMP1 (0.42) MMP1ADAM17BRD4ITGB1ITGA4
SCHEMBL21035366 0.90 HCRTR1 (0.41) MMP1ADAM17BRD4ITGB1ITGA4
SCHEMBL21036250 0.90 HCRTR1 (0.41) MMP1ADAM17BRD4ITGB1ITGA4
SCHEMBL21035064 0.89 LMNA (0.45) MMP1ADAM17BRD4ITGB1ITGA4
SCHEMBL21035450 0.89 GHSR (0.40) MMP1ADAM17PSEN1PSEN2APH1B
SCHEMBL21035444 0.89 GHSR (0.40) MMP1ADAM17PSEN1PSEN2APH1B
SCHEMBL21035447 0.89 GHSR (0.40) MMP1ADAM17PSEN1PSEN2APH1B
Trifluoroacetic Acid SCHEMBL21001848 0.88 GHSR (0.39) MMP1ADAM17BRD4PSEN1PSEN2

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
WO-2019104011-A1 CERAMIDE GALACTOSYLTRANSFERASE INHIBITORS FOR THE TREATMENT OF DISEASE BIOMARIN PHARMACEUTICAL INC. (US) 2019-05-31 WO disclosed