SCHEMBL9190093

SCHEMBL9190093

CCCCCC1CCC(CCC(=O)Oc2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LSS P48449 4/20 0.48
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ADAMTS4 O75173 1/20 0.41
ADAMTS5 Q9UNA0 1/20 0.41
HPGD P15428 4/20 0.41
ALOX5 P09917 2/20 0.40
NAAA Q02083 1/20 0.40
KIF11 P52732 1/20 0.40
SLC6A5 Q9Y345 1/20 0.39
PTGES O14684 1/20 0.39
PPARG P37231 1/20 0.39
PSEN1 P49768 1/20 0.39
PLG P00747 1/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39

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
SCHEMBL9190086 1.00 LSS (0.48) LSSKMT2ASMN1; SMN2ADAMTS4ADAMTS5
SCHEMBL9189443 0.99 LSS (0.50) LSSKMT2ASMN1; SMN2ADAMTS4ADAMTS5
SCHEMBL9182946 0.99 LSS (0.50) LSSKMT2ASMN1; SMN2ADAMTS4ADAMTS5
SCHEMBL9185338 0.99 LSS (0.50) LSSKMT2ASMN1; SMN2ADAMTS4ADAMTS5
SCHEMBL9182954 0.99 LSS (0.50) LSSKMT2ASMN1; SMN2ADAMTS4ADAMTS5
SCHEMBL9185346 0.99 LSS (0.50) LSSKMT2ASMN1; SMN2ADAMTS4ADAMTS5
SCHEMBL9189451 0.99 LSS (0.50) LSSKMT2ASMN1; SMN2ADAMTS4ADAMTS5
SCHEMBL9186631 0.96 LSS (0.46) LSSKMT2ASMN1; SMN2ADAMTS4ADAMTS5
SCHEMBL9186620 0.96 LSS (0.46) LSSKMT2ASMN1; SMN2ADAMTS4ADAMTS5
SCHEMBL9186627 0.96 LSS (0.46) LSSKMT2ASMN1; SMN2ADAMTS4ADAMTS5

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 1 patent. 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