SCHEMBL21035356

SCHEMBL21035356

COC(=O)[C@@H]1CN(C(c2ccccc2)c2ccccc2)CCN1S(=O)(=O)c1ccc(OCC2CCCCC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
MAPT P10636 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ALDH1A1 P00352 2/20 0.45
KMT2A Q03164 2/20 0.45
MMP1 P03956 6/20 0.45
MMP13 P45452 6/20 0.45
MMP3 P08254 6/20 0.45
MMP9 P14780 5/20 0.45
MMP7 P09237 5/20 0.45
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
GPR88 Q9GZN0 1/20 0.42
FKBP1A P62942 2/20 0.42
CACNA1A O00555 1/20 0.41
CACNA2D1 P54289 1/20 0.41
CACNB1 Q02641 1/20 0.41

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
SCHEMBL21035573 1.00 LMNA (0.48) LMNAMAPTNPSR1ALDH1A1KMT2A
SCHEMBL21035063 0.93 CACNA1A (0.44) LMNAMAPTNPSR1ALDH1A1KMT2A
SCHEMBL21035323 0.89 HCRTR1 (0.43) MAPTALDH1A1KMT2AMMP1MMP13
SCHEMBL21035581 0.85 LMNA (0.54) LMNAMAPTNPSR1MMP1MMP13
SCHEMBL21035361 0.85 LMNA (0.54) LMNAMAPTNPSR1MMP1MMP13
SCHEMBL21035064 0.84 LMNA (0.45) LMNAMAPTNPSR1KMT2AMMP1
SCHEMBL21035630 0.82 CHRM2 (0.42) NPSR1ALDH1A1KMT2AMMP1MMP13
SCHEMBL21035631 0.82 CHRM2 (0.42) NPSR1ALDH1A1KMT2AMMP1MMP13
SCHEMBL21035326 0.81 MMP1 (0.42) LMNAMAPTNPSR1ALDH1A1KMT2A
SCHEMBL21035451 0.81 HCRTR1 (0.41) MAPTALDH1A1KMT2AMMP1MMP13

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