SCHEMBL8578901

SCHEMBL8578901

CCCCCCC[Si]1(c2ccccc2)CCC(c2ccc(-c3cc(F)c(O)c(F)c3)cc2)CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 2/20 0.34
RARA P10276 1/20 0.34
RARG P13631 1/20 0.34
SPHK1 Q9NYA1 3/20 0.33
P2RY14 Q15391 1/20 0.32
AKR1C2 P52895 1/20 0.32
AKR1C1 Q04828 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
MGLL Q99685 4/20 0.31
ESR2 Q92731 1/20 0.31
SLC18A3 Q16572 1/20 0.31
LMNA P02545 1/20 0.30
FAAH O00519 2/20 0.30
CNR1 P21554 2/20 0.30
HTR1A P08908 2/20 0.30
DRD2 P14416 2/20 0.30
DRD1 P21728 2/20 0.30
DRD4 P21917 2/20 0.30
DRD5 P21918 2/20 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
SCHEMBL8580118 1.00 RARB (0.34) RARBRARARARGSPHK1P2RY14
SCHEMBL8579023 0.99 RARB (0.32) RARBRARARARGSPHK1P2RY14
SCHEMBL8580088 0.91 AKR1C2 (0.34) AKR1C2AKR1C1NPC1RAB9AESR2
SCHEMBL8580084 0.91 AKR1C2 (0.34) AKR1C2AKR1C1NPC1RAB9AESR2
SCHEMBL8578393 0.89 AKR1C2 (0.33) AKR1C2AKR1C1NPC1RAB9A
SCHEMBL7751081 0.89 DRD5 (0.32) SLC18A3LMNAHTR1ADRD2DRD1
SCHEMBL8581098 0.87 ESR2 (0.36) SPHK1NPC1RAB9AESR2
SCHEMBL8635150 0.86 APP (0.32) AKR1C2AKR1C1NPC1RAB9A
SCHEMBL7757549 0.86 SPHK1 (0.33) SPHK1NPC1RAB9ASLC18A3DRD2
SCHEMBL8027799 0.83 SPHK1 (0.37) SPHK1SLC18A3DRD2

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-5730902-A Optically active silacyclohexane compounds, liquid crystal compositions comprising the same and liquid crystal display devices comprising the compositions SHIN-ETSU CHEMICAL CO., LTD. (JP) 1998-03-24 US disclosed
EP-0761674-A1 Optically active silacyclohexane compounds, liquid crystal compositions comprising the same and liquid crystal display devices comprising the compositions SHIN-ETSU CHEMICAL CO., LTD. (JP) 1997-03-12 EP disclosed