SCHEMBL3706388

SCHEMBL3706388

CO[Si](CNN1CCOCC1)(OC)OC

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 1/20 0.34
GLA P06280 1/20 0.32
CA12 O43570 2/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA9 Q16790 2/20 0.31
CYP2C19 P33261 1/20 0.31
LIPE Q05469 1/20 0.31
KDM1A O60341 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL3707560 0.84 HTR4 (0.34) HTR4GLACA12CA1CA2
SCHEMBL935658 0.81 TSHR (0.34) HTR4LIPEALDH1A1
SCHEMBL3712866 0.78 HTR4 (0.34) HTR4GLACYP2C19KDM1AALDH1A1
SCHEMBL935505 0.76 GNAI3 (0.42)
SCHEMBL3703407 0.73 TSHR (0.34) HTR4LIPEALDH1A1
SCHEMBL3699860 0.71 KDM1A (0.33) HTR4GLAKDM1A
SCHEMBL776376 0.70 SMN1; SMN2 (0.40) CYP2C19ALDH1A1
SCHEMBL2744386 0.70 KDM1A (0.40) HTR4CA12CA1CA2CA9
SCHEMBL13451264 0.69 TDP1 (0.47) HTR4LIPEKDM1AALDH1A1
SCHEMBL658288 0.69

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
US-8357755-B2 Cross-linkable organosilicon-based compositions WACKER CHEMIE AG (DE) 2013-01-22 US disclosed
US-20120123048-A1 CROSS-LINKABLE ORGANOSILICON-BASED COMPOSITIONS WACKER CHEMIE AG (DE) 2012-05-17 US disclosed