SCHEMBL9190352

SCHEMBL9190352

CC[C@H]1CC[C@H]([C@H]2CC[C@H](CCC(=O)Oc3ccc(C(F)(F)F)cc3)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LSS P48449 2/20 0.41
HPGD P15428 4/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
KIF11 P52732 1/20 0.40
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP19A1 P11511 1/20 0.36
DRD2 P14416 2/20 0.36
DRD3 P35462 2/20 0.36
CNR1 P21554 1/20 0.36
HSD11B1 P28845 1/20 0.35
LIPE Q05469 1/20 0.35
SLC6A5 Q9Y345 1/20 0.35
MAOB P27338 1/20 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
SCHEMBL9190344 1.00 LSS (0.41) LSSHPGDL3MBTL1KIF11ALDH1A1
SCHEMBL9190337 1.00 LSS (0.41) LSSHPGDL3MBTL1KIF11ALDH1A1
SCHEMBL9186042 0.96 LSS (0.43) LSSHPGDL3MBTL1KIF11ALDH1A1
SCHEMBL9186038 0.96 LSS (0.43) LSSHPGDL3MBTL1KIF11ALDH1A1
SCHEMBL9189170 0.93 LSS (0.41) LSSHPGDL3MBTL1KIF11ALDH1A1
SCHEMBL9189147 0.93 LSS (0.41) LSSHPGDL3MBTL1KIF11ALDH1A1
SCHEMBL9189161 0.93 LSS (0.41) LSSHPGDL3MBTL1KIF11ALDH1A1
SCHEMBL9187609 0.90 LSS (0.45) LSSHPGDL3MBTL1KIF11ALDH1A1
SCHEMBL9187604 0.90 LSS (0.45) LSSHPGDL3MBTL1KIF11ALDH1A1
SCHEMBL9187613 0.90 LSS (0.45) LSSHPGDL3MBTL1KIF11ALDH1A1

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
EP-0423520-B1 Liquid crystalline composition for the use in a twisted nematic cell MERCK PATENT GMBH (DE) 1995-08-02 EP disclosed
EP-0423520-A2 Liquid crystalline composition for the use in a twisted nematic cell MERCK PATENT GmbH (DE) 1991-04-24 EP disclosed