SCHEMBL4892786

SCHEMBL4892786

CCn1cc(C)nc1CCC[Si](OC)(OC)OC

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SPNS2 Q8IVW8 1/20 0.33
TSHR P16473 2/20 0.32
LMNA P02545 2/20 0.32
HTT P42858 1/20 0.32
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP19A1 P11511 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
SCHEMBL4899193 0.90 TSHR (0.33) TSHRLMNAHTTALDH1A1SMN1; SMN2
SCHEMBL4897857 0.86 SPNS2 (0.33) SPNS2
SCHEMBL4900860 0.80 CYP19A1 (0.33) TSHRLMNAHTTALDH1A1SMN1; SMN2
SCHEMBL3836054 0.78 CYP19A1 (0.38) TSHRLMNAHTTALDH1A1SMN1; SMN2
SCHEMBL4888368 0.76 CYP19A1 (0.31) CYP19A1
SCHEMBL4888405 0.73 ALDH1A1 (0.35) TSHRLMNAALDH1A1
SCHEMBL6855316 0.72 CYP19A1 (0.47) TSHRLMNAHTTALDH1A1SMN1; SMN2
SCHEMBL3835056 0.70 CYP19A1 (0.41) TSHRLMNAHTTALDH1A1SMN1; SMN2
SCHEMBL4900813 0.69 CYP19A1 (0.32) ALDH1A1CYP19A1
SCHEMBL18754827 0.69 CYP19A1 (0.36) LMNAALDH1A1CYP19A1

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-20080274305-A1 Liquid Crystal Sealant and Liquid Crystal Display Cell Utilizing the Same NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2008-11-06 US disclosed
EP-1780587-A1 LIQUID CRYSTAL SEALANT AND LIQUID CRYSTAL DISPLAY CELL UTILIZING THE SAME Nippon Kayaku Kabushiki Kaisha (JP) 2007-05-02 EP disclosed