SCHEMBL9187604

SCHEMBL9187604

CCCC[C@H]1CC[C@H](C2CCC(CCC(=O)Oc3ccc(C(F)(F)F)cc3)CC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LSS P48449 2/20 0.45
HPGD P15428 4/20 0.39
ALOX5 P09917 2/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
SLC6A5 Q9Y345 1/20 0.38
PTGES O14684 1/20 0.38
PPARG P37231 1/20 0.38
PSEN1 P49768 1/20 0.38
KIF11 P52732 1/20 0.38
ADAMTS4 O75173 1/20 0.38
ADAMTS5 Q9UNA0 1/20 0.38
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
TSHR P16473 2/20 0.37
CYP2C19 P33261 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP2C9 P11712 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
SCHEMBL9187613 1.00 LSS (0.45) LSSHPGDALOX5KMT2ASMN1; SMN2
SCHEMBL9187609 1.00 LSS (0.45) LSSHPGDALOX5KMT2ASMN1; SMN2
SCHEMBL9186631 0.96 LSS (0.46) LSSHPGDALOX5KMT2ASMN1; SMN2
SCHEMBL9186627 0.96 LSS (0.46) LSSHPGDALOX5KMT2ASMN1; SMN2
SCHEMBL9186620 0.96 LSS (0.46) LSSHPGDALOX5KMT2ASMN1; SMN2
SCHEMBL9188927 0.96 LSS (0.47) LSSHPGDALOX5KMT2ASMN1; SMN2
SCHEMBL9188919 0.96 LSS (0.47) LSSHPGDALOX5KMT2ASMN1; SMN2
SCHEMBL9188192 0.95 LSS (0.48) LSSHPGDALOX5KMT2ASMN1; SMN2
SCHEMBL9188429 0.95 LSS (0.48) LSSHPGDALOX5KMT2ASMN1; SMN2
SCHEMBL9188427 0.95 LSS (0.48) LSSHPGDALOX5KMT2ASMN1; SMN2

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