SCHEMBL22323931

SCHEMBL22323931

C[C](C)c1ccc(-c2ccc(CO)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45
MKNK1 Q9BUB5 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
TSHR P16473 1/20 0.40
KIF11 P52732 1/20 0.40
HDAC2 Q92769 1/20 0.39
KMT2A Q03164 1/20 0.38
BAZ2B Q9UIF8 1/20 0.38
BAZ2A Q9UIF9 1/20 0.38
RARB P10826 2/20 0.37
EPHX2 P34913 1/20 0.37
PTGS2 P35354 1/20 0.37
HSD17B1 P14061 1/20 0.37

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
SCHEMBL6844069 0.93 PRSS1 (0.52) PRSS1PRSS2PRSS3MMP2MMP9
SCHEMBL20314640 0.82 KMT2A (0.61) MMP2MMP9MMP8HDAC2KMT2A
SCHEMBL679970 0.82 MKNK1 (0.56) PRSS1PRSS2PRSS3MMP2MMP9
SCHEMBL11310791 0.82 MKNK1 (0.56) PRSS1PRSS2PRSS3MMP2MMP9
SCHEMBL5712083 0.82 SMN1; SMN2 (0.48) HSD17B1MAPTSMN1; SMN2
SCHEMBL4623255 0.75 EGFR (0.48) MKNK1MKNK2TSHRKIF11HDAC2
SCHEMBL258820 0.75 MAP2K4 (0.49) MKNK1MKNK2TSHRKIF11HDAC2
SCHEMBL3641834 0.74 RARB (0.58) TSHRKMT2ARARBEPHX2MAPT
SCHEMBL1286664 0.73 KMT2A (0.70) PRSS1PRSS2PRSS3KMT2AEPHX2
SCHEMBL1066908 0.73 PRSS1 (0.48) PRSS1PRSS2PRSS3MMP2MMP9

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-3920912-A1 TREATMENT OF CILIOPATHIES USING INHIBITORS OF GLUCOSYLCERAMIDE SYNTHASE (GCS) Genzyme Corporation (US) 2021-12-15 EP disclosed
WO-2020163337-A1 TREATMENT OF CILIOPATHIES USING INHIBITORS OF GLUCOSYLCERAMIDE SYNTHASE (GCS) GENZYME CORPORATION (US) 2020-08-13 WO disclosed