SCHEMBL21036263

SCHEMBL21036263

O=C([C@@H]1C[C@H](Oc2ccc(-c3ccc(Cl)cc3)cc2)CCN1S(=O)(=O)c1ccc(OCC2CCCCC2)cc1)N1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
MMP1 P03956 2/20 0.44
ADAM17 P78536 1/20 0.44
TSHR P16473 2/20 0.43
LMNA P02545 2/20 0.42
GAA P10253 1/20 0.42
GHSR Q92847 4/20 0.41
NPSR1 Q6W5P4 2/20 0.41
ITGB1 P05556 1/20 0.41
ITGA4 P13612 1/20 0.41
KCNQ1 P51787 1/20 0.41
RGS12 O14924 1/20 0.40
BCL2L1 Q07817 1/20 0.39
MCL1 Q07820 1/20 0.39
FKBP1A P62942 1/20 0.39
PREP P48147 1/20 0.39
MMP3 P08254 1/20 0.38
MMP7 P09237 1/20 0.38
MMP13 P45452 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
SCHEMBL21035496 1.00 KMT2A (0.44) KMT2AMEN1MMP1ADAM17TSHR
SCHEMBL21034988 1.00 KMT2A (0.44) KMT2AMEN1MMP1ADAM17TSHR
SCHEMBL21035626 1.00 KMT2A (0.44) KMT2AMEN1MMP1ADAM17TSHR
SCHEMBL21036279 0.94 GHSR (0.43) KMT2AMEN1MMP1ADAM17TSHR
SCHEMBL21035349 0.94 GHSR (0.46) KMT2AMEN1MMP1ADAM17LMNA
SCHEMBL21034987 0.94 GHSR (0.43) KMT2AMEN1MMP1ADAM17TSHR
SCHEMBL21035578 0.94 GHSR (0.46) KMT2AMEN1MMP1ADAM17LMNA
SCHEMBL21034990 0.94 GHSR (0.43) KMT2AMEN1MMP1ADAM17TSHR
SCHEMBL21035126 0.94 GHSR (0.46) KMT2AMEN1MMP1ADAM17LMNA
SCHEMBL21035422 0.91 MMP1 (0.45) KMT2AMMP1ADAM17NPSR1ITGB1

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