SCHEMBL9186038

SCHEMBL9186038

CC[C@H]1CC[C@H](CCC(=O)Oc2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LSS P48449 2/20 0.43
HPGD P15428 4/20 0.43
KIF11 P52732 1/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP19A1 P11511 1/20 0.39
HSD11B1 P28845 1/20 0.37
MAOB P27338 1/20 0.37
LIPE Q05469 1/20 0.37
SLC6A5 Q9Y345 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KLK7 P49862 1/20 0.37

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
SCHEMBL9186042 1.00 LSS (0.43) LSSHPGDKIF11ALDH1A1LMNA
SCHEMBL9190344 0.96 LSS (0.41) LSSHPGDKIF11ALDH1A1LMNA
SCHEMBL9190337 0.96 LSS (0.41) LSSHPGDKIF11ALDH1A1LMNA
SCHEMBL9190352 0.96 LSS (0.41) LSSHPGDKIF11ALDH1A1LMNA
SCHEMBL9187378 0.92 LSS (0.43) LSSHPGDKIF11ALDH1A1LMNA
SCHEMBL9187370 0.92 LSS (0.43) LSSHPGDKIF11ALDH1A1LMNA
SCHEMBL9188927 0.90 LSS (0.47) LSSHPGDKIF11ALDH1A1LMNA
SCHEMBL9188919 0.90 LSS (0.47) LSSHPGDKIF11ALDH1A1LMNA
SCHEMBL9189161 0.88 LSS (0.41) LSSHPGDKIF11ALDH1A1LMNA
SCHEMBL9190086 0.88 LSS (0.48) LSSHPGDKIF11KMT2ASLC6A5

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