SCHEMBL6550142

SCHEMBL6550142

C[CH][Si](C)(C)OCCCC

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
ATM Q13315 1/20 0.33
TSHR P16473 2/20 0.32
CYP3A4 P08684 1/20 0.32
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CA12 O43570 1/20 0.31
CA9 Q16790 1/20 0.31

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
SCHEMBL537953 0.78 TSHR (0.39) ADRB2ADRB1ADRB3ATMTSHR
SCHEMBL4151916 0.77 ADRB2 (0.38) ADRB2ADRB1ADRB3CA1CA2
SCHEMBL151806 0.73 ADRB2 (0.43) ADRB2ADRB1ADRB3CA1CA2
SCHEMBL93421 0.73 ADRB2 (0.43) ADRB2ADRB1ADRB3CA1CA2
SCHEMBL119150 0.73
SCHEMBL9796521 0.73 ADRB2 (0.43) ADRB2ADRB1ADRB3CA1CA2
SCHEMBL7931500 0.71 TSHR (0.36) CA1CA2TSHRHPGDALDH1A1
SCHEMBL1315288 0.70
SCHEMBL16543985 0.70 TSHR (0.39) CA1CA2TSHRALDH1A1CA12
SCHEMBL919225 0.70 TSHR (0.39) CA1CA2TSHRALDH1A1CA12

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-1385905-A1 PRODUCT IN SUBDIVIDED FORM FOR PREPARING CROSSLINKABLE ELASTOMERIC COMPOSITIONS PIRELLI PNEUMATICI S.p.A. (IT) 2004-02-04 EP disclosed
WO-2002083783-A1 PRODUCT IN SUBDIVIDED FORM FOR PREPARING CROSSLINKABLE ELASTOMERIC COMPOSITIONS PIRELLI PNEUMATICI S.P.A. (IT) 2002-10-24 WO disclosed