SCHEMBL9188192

SCHEMBL9188192

CCCCCCCC1CCC(C2CCC(CCC(=O)Oc3ccc(C(F)(F)F)cc3)CC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LSS P48449 7/20 0.48
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ADAMTS4 O75173 1/20 0.39
ADAMTS5 Q9UNA0 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
HPGD P15428 3/20 0.38
ALOX5 P09917 2/20 0.38
NAAA Q02083 1/20 0.38
PTGES O14684 1/20 0.37
PPARG P37231 1/20 0.37
PSEN1 P49768 1/20 0.37
SLC6A5 Q9Y345 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
SCHEMBL9188200 1.00 LSS (0.48) LSSKMT2ASMN1; SMN2ADAMTS4ADAMTS5
SCHEMBL9186408 1.00 LSS (0.48) LSSKMT2ASMN1; SMN2ADAMTS4ADAMTS5
SCHEMBL9188419 1.00 LSS (0.48) LSSKMT2ASMN1; SMN2ADAMTS4ADAMTS5
SCHEMBL9186420 1.00 LSS (0.48) LSSKMT2ASMN1; SMN2ADAMTS4ADAMTS5
SCHEMBL9188181 1.00 LSS (0.48) LSSKMT2ASMN1; SMN2ADAMTS4ADAMTS5
SCHEMBL9188427 1.00 LSS (0.48) LSSKMT2ASMN1; SMN2ADAMTS4ADAMTS5
SCHEMBL9188429 1.00 LSS (0.48) LSSKMT2ASMN1; SMN2ADAMTS4ADAMTS5
SCHEMBL9186428 1.00 LSS (0.48) LSSKMT2ASMN1; SMN2ADAMTS4ADAMTS5
SCHEMBL9186620 0.99 LSS (0.46) LSSKMT2ASMN1; SMN2ADAMTS4ADAMTS5
SCHEMBL9186631 0.99 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