SCHEMBL9330873

SCHEMBL9330873

CCCCCCCCOc1ncc(-c2ccc(OCCCC[Si](C)(C)C)cc2)cn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.52
CYP2D6 P10635 7/20 0.49
CYP3A4 P08684 4/20 0.49
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CYP19A1 P11511 6/20 0.47
CYP2C9 P11712 6/20 0.47
CYP2C19 P33261 6/20 0.47
NR5A1 Q13285 1/20 0.46
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PLA2G4B P0C869 1/20 0.44
CYP1A2 P05177 3/20 0.43

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
SCHEMBL9331508 1.00 RARB (0.52) RARBCYP2D6CYP3A4KDM4EALDH1A1
SCHEMBL9506148 0.91 CYP2D6 (0.57) RARBCYP2D6CYP3A4KDM4EALDH1A1
SCHEMBL9506174 0.91 CYP2D6 (0.57) RARBCYP2D6CYP3A4KDM4EALDH1A1
SCHEMBL9334345 0.90 RARB (0.48) RARBCYP2D6CYP3A4KDM4EALDH1A1
SCHEMBL9330812 0.90 RARB (0.48) RARBCYP2D6CYP3A4KDM4EALDH1A1
SCHEMBL9331347 0.90 RARB (0.48) RARBCYP2D6CYP3A4KDM4EALDH1A1
SCHEMBL9331380 0.90 RARB (0.48) RARBCYP2D6CYP3A4KDM4EALDH1A1
SCHEMBL9331367 0.90 RARB (0.48) RARBCYP2D6CYP3A4KDM4EALDH1A1
SCHEMBL9331006 0.89 RARB (0.47) RARBCYP2D6CYP3A4KDM4EALDH1A1
SCHEMBL9334371 0.89 RARB (0.47) RARBCYP2D6CYP3A4KDM4EALDH1A1

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
US-5348684-A Organosilylalkyl or organosilylalkenyl compounds, process for preparing them and their use in liquid-crystalline mixtures HOECHST AKTIENGESELLSCHAFT (DE) 1994-09-20 US disclosed
EP-0355008-B1 Organosilylalkyl or -alkenyl compounds, process for their preparation and their use in liquid-crystal mixtures HOECHST AG (DE) 1994-04-13 EP disclosed
EP-0355008-A2 Organosilylalkyl or -alkenyl compounds, process for their preparation and their use in liquid-crystal mixtures HOECHST AKTIENGESELLSCHAFT (DE) 1990-02-21 EP disclosed