SCHEMBL9185346

SCHEMBL9185346

CCCCCCCC1CCC(CCC(=O)Oc2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LSS P48449 8/20 0.50
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ADAMTS4 O75173 1/20 0.41
ADAMTS5 Q9UNA0 1/20 0.41
HPGD P15428 3/20 0.40
PLG P00747 1/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
ALOX5 P09917 1/20 0.39
NAAA Q02083 1/20 0.39
SLC6A5 Q9Y345 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
SCHEMBL9189451 1.00 LSS (0.50) LSSKMT2ASMN1; SMN2ADAMTS4ADAMTS5
SCHEMBL9189443 1.00 LSS (0.50) LSSKMT2ASMN1; SMN2ADAMTS4ADAMTS5
SCHEMBL9182946 1.00 LSS (0.50) LSSKMT2ASMN1; SMN2ADAMTS4ADAMTS5
SCHEMBL9182954 1.00 LSS (0.50) LSSKMT2ASMN1; SMN2ADAMTS4ADAMTS5
SCHEMBL9185338 1.00 LSS (0.50) LSSKMT2ASMN1; SMN2ADAMTS4ADAMTS5
SCHEMBL9190093 0.99 LSS (0.48) LSSKMT2ASMN1; SMN2ADAMTS4ADAMTS5
SCHEMBL9190086 0.99 LSS (0.48) LSSKMT2ASMN1; SMN2ADAMTS4ADAMTS5
SCHEMBL9186428 0.96 LSS (0.48) LSSKMT2ASMN1; SMN2ADAMTS4ADAMTS5
SCHEMBL9188427 0.96 LSS (0.48) LSSKMT2ASMN1; SMN2ADAMTS4ADAMTS5
SCHEMBL9188181 0.96 LSS (0.48) 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