SCHEMBL8040070

SCHEMBL8040070

CCCCC[Si@H]1CC[C@H](C2CCC(c3ccc(Cl)cc3)CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.46
SPHK1 Q9NYA1 11/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
SLC2A1 P11166 1/20 0.37
HTR3A P46098 1/20 0.36
LSS P48449 1/20 0.35
SPHK2 Q9NRA0 7/20 0.35

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
SCHEMBL8040067 1.00 DRD2 (0.46) DRD2SPHK1L3MBTL1SLC2A1HTR3A
SCHEMBL9008439 0.99 DRD2 (0.44) DRD2SPHK1L3MBTL1SLC2A1HTR3A
SCHEMBL8083754 0.91 DRD2 (0.50) DRD2SPHK1L3MBTL1SLC2A1HTR3A
SCHEMBL8083758 0.91 DRD2 (0.50) DRD2SPHK1L3MBTL1SLC2A1HTR3A
SCHEMBL8087998 0.90 DRD2 (0.49) DRD2SPHK1L3MBTL1SLC2A1HTR3A
SCHEMBL8084396 0.90 DRD2 (0.49) DRD2SPHK1L3MBTL1SLC2A1HTR3A
SCHEMBL8084398 0.90 DRD2 (0.49) DRD2SPHK1L3MBTL1SLC2A1HTR3A
SCHEMBL8089638 0.90 DRD2 (0.49) DRD2SPHK1L3MBTL1SLC2A1HTR3A
SCHEMBL8038294 0.90 DRD2 (0.49) DRD2SPHK1SLC2A1HTR3ALSS
SCHEMBL8089635 0.90 DRD2 (0.49) DRD2SPHK1L3MBTL1SLC2A1HTR3A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0687678-B1 Cyclohexanone compounds, process for preparing the same, and processes for preparing silacyclohexane-based liquid crystal compounds from the cyclohexanone compounds SHINETSU CHEMICAL CO (JP) 2000-03-22 EP disclosed
US-5693841-A Cyclohexanone compounds, process for preparing the same, and processes for preparing silacyclohexane-based liquid crystal compounds from the cyclohexanone compounds SHIN-ETSU CHEMICAL CO., LTD. (JP) 1997-12-02 US disclosed
EP-0765880-A1 Process for preparing sil acyclohexane-based liquid crystal compounds from silacyclohexanone compounds SHIN-ETSU CHEMICAL CO., LTD. (JP) 1997-04-02 EP disclosed
EP-0687678-A1 Cyclohexanone compounds, process for preparing the same, and processes for preparing silacyclohexane-based liquid crystal compounds from the cyclohexanone compounds SHIN-ETSU CHEMICAL CO., LTD. (JP) 1995-12-20 EP disclosed