SCHEMBL14922599

SCHEMBL14922599

CCOc1ccc(-c2ccc(C3CCC(OC(=O)C4CCC(c5ccc(OCC)c(F)c5F)CC4)CC3)c(F)c2F)c(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ HPGD P15428 3/20 0.36
▸ MAPT P10636 2/20 0.36
▸ GLA P06280 1/20 0.35
▸ FPR2 P25090 1/20 0.34
▸ PTGDR2 Q9Y5Y4 1/20 0.34
▸ PTGS1 P23219 1/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ FGFR1 P11362 1/20 0.33
▸ FGFR2 P21802 1/20 0.33
▸ ACACB O00763 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ ALOX5AP P20292 1/20 0.33
▸ FEN1 P39748 1/20 0.33
▸ SSTR5 P35346 1/20 0.33

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
SCHEMBL14922583 1.00 SMN1; SMN2 (0.39) SMN1; SMN2HPGDMAPTGLAFPR2
SCHEMBL12196524 0.95 SMN1; SMN2 (0.36) SMN1; SMN2HPGDMAPTGLAFPR2
SCHEMBL12196535 0.95 SMN1; SMN2 (0.36) SMN1; SMN2HPGDMAPTGLAFPR2
SCHEMBL12224679 0.95 SMN1; SMN2 (0.36) SMN1; SMN2HPGDMAPTGLAFPR2
SCHEMBL14922591 0.95 SMN1; SMN2 (0.36) SMN1; SMN2HPGDMAPTGLAFPR2
SCHEMBL14922667 0.94 SCN9A (0.37) SMN1; SMN2HPGDMAPTGLAFPR2
SCHEMBL14922607 0.94 SCN9A (0.37) SMN1; SMN2HPGDMAPTGLAFPR2
SCHEMBL12197218 0.92 CTSL (0.41) SMN1; SMN2HPGDMAPTGLAFPR2
SCHEMBL2509916 0.92 LMNA (0.38) SMN1; SMN2MAPTMEN1KMT2AALOX5AP
SCHEMBL2513233 0.92 LMNA (0.38) SMN1; SMN2MAPTMEN1KMT2AALOX5AP

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
US-8435422-B2 Five-ring compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-05-07 — — US disclosed
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