SCHEMBL9845210

SCHEMBL9845210

CCC(=O)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.39
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
OPRM1 P35372 2/20 0.35
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
OPRD1 P41143 1/20 0.35
CYP2C19 P33261 1/20 0.34
HIF1A Q16665 1/20 0.34
PRSS1 P07477 2/20 0.34
CTSG P08311 2/20 0.34
CTRB1 P17538 2/20 0.34
CMA1 P23946 2/20 0.34
MAPT P10636 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
PIN1 Q13526 1/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL6546547 0.88 CYP2C19 (0.35) CYP2C19HIF1AMAPTSMN1; SMN2GAA
SCHEMBL6072557 0.88 ABL1 (0.35) CYP2C19HIF1APRSS1CTSGCTRB1
SCHEMBL4644895 0.86 TSHR (0.35) CYP2C19HIF1AMAPTSMN1; SMN2L3MBTL1
SCHEMBL4647513 0.85 CYP2C19 (0.33) CYP2C19HIF1AMAPTSMN1; SMN2MEN1
SCHEMBL4647641 0.85 ALDH1A1 (0.36) CYP2C19HIF1AMAPTSMN1; SMN2L3MBTL1
SCHEMBL6072563 0.85 CYP2C19 (0.37) CYP2C19HIF1APRSS1CTSGCTRB1
SCHEMBL6545076 0.85 KDM4E (0.36) CYP2C19HIF1AMAPTSMN1; SMN2GAA
SCHEMBL30116362 0.84 KDM4E (0.46) CES2CES1L3MBTL1KDM4EMEN1
SCHEMBL6656947 0.83 NR4A2 (0.38) CYP2C19HIF1ASMN1; SMN2GAAL3MBTL1
SCHEMBL4644661 0.83 CYP2C19 (0.33) CYP2C19HIF1AMAPTALDH1A1ABL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3559007-A1 SULFONAMIDE COMPOUNDS HAVING TNAP INHIBITORY ACTIVITY DAIICHI SANKYO COMPANY, LIMITED (JP) 2019-10-30 EP disclosed
WO-2018119444-A1 SULFONAMIDE COMPOUNDS HAVING TNAP INHIBITORY ACTIVITY DAIICHI SANKYO COMPANY, LIMITED (JP) 2018-06-28 WO disclosed
EP-0462667-A2 Beta-lactams as antihypercholesterolemics MERCK & CO. INC. (US) 1991-12-27 EP disclosed