SCHEMBL14922631

SCHEMBL14922631

CCOc1ccc(C2CCC(OC(=O)C3CCC(C4CCC(c5ccc(OCC)c(F)c5F)CC4)CC3)CC2)c(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ HPGD P15428 4/20 0.37
▸ GLA P06280 1/20 0.36
▸ PTGDR2 Q9Y5Y4 2/20 0.34
▸ HTT P42858 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ CHRM4 P08173 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ SSTR5 P35346 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HCRTR2 O43614 1/20 0.33
▸ ACACB O00763 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ CYP3A4 P08684 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
SCHEMBL14922394 1.00 SMN1; SMN2 (0.40) SMN1; SMN2HPGDGLAPTGDR2HTT
SCHEMBL12197476 0.94 SMN1; SMN2 (0.36) SMN1; SMN2HPGDGLAPTGDR2HTT
SCHEMBL14922680 0.94 SMN1; SMN2 (0.36) SMN1; SMN2HPGDGLAHTTTDP1
SCHEMBL12197461 0.94 SMN1; SMN2 (0.36) SMN1; SMN2HPGDGLAPTGDR2HTT
SCHEMBL14922689 0.94 SMN1; SMN2 (0.36) SMN1; SMN2HPGDGLAHTTTDP1
SCHEMBL12223619 0.94 SMN1; SMN2 (0.36) SMN1; SMN2HPGDGLAPTGDR2HTT
SCHEMBL14922603 0.94 SCN9A (0.38) SMN1; SMN2HPGDGLATDP1MAPK1
SCHEMBL14922683 0.94 SCN9A (0.38) SMN1; SMN2HPGDGLATDP1MAPK1
SCHEMBL22277456 0.93 SMN1; SMN2 (0.35) SMN1; SMN2HPGDGLAPTGDR2HTT
SCHEMBL14922583 0.92 SMN1; SMN2 (0.39) SMN1; SMN2HPGDGLAPTGDR2HTT

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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