SCHEMBL8457166

SCHEMBL8457166

N#CC=C/C=C/C1CCC(OC(=O)c2ccc(F)c(F)c2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SERPINE1 P05121 1/20 0.38
▸ PLA2G7 Q13093 1/20 0.36
▸ HSD11B1 P28845 1/20 0.36
▸ KMT2A Q03164 1/20 0.35
▸ AR P10275 1/20 0.35
▸ KCNQ3 O43525 1/20 0.34
▸ KCNQ2 O43526 1/20 0.34
▸ SSTR3 P32745 1/20 0.34
▸ CES2 O00748 1/20 0.34
▸ CES1 P23141 1/20 0.34
▸ F2 P00734 1/20 0.33
▸ PRSS1 P07477 1/20 0.33
▸ PRSS2 P07478 1/20 0.33
▸ PRSS3 P35030 1/20 0.33
▸ ST14 Q9Y5Y6 1/20 0.33
▸ HSP90AB1 P08238 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ BCL9 O00512 3/20 0.33
▸ CTNNB1 P35222 3/20 0.33
▸ GAA P10253 1/20 0.32

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
SCHEMBL8457171 1.00 SERPINE1 (0.38) SERPINE1PLA2G7HSD11B1KMT2AAR
SCHEMBL8457174 1.00 SERPINE1 (0.38) SERPINE1PLA2G7HSD11B1KMT2AAR
SCHEMBL8457164 1.00 SERPINE1 (0.38) SERPINE1PLA2G7HSD11B1KMT2AAR
SCHEMBL8449665 0.92 SERPINE1 (0.40) SERPINE1PLA2G7HSD11B1KMT2AAR
SCHEMBL8449668 0.92 SERPINE1 (0.40) SERPINE1PLA2G7HSD11B1KMT2AAR
SCHEMBL8449656 0.92 SERPINE1 (0.40) SERPINE1PLA2G7HSD11B1KMT2AAR
SCHEMBL8449659 0.92 SERPINE1 (0.40) SERPINE1PLA2G7HSD11B1KMT2AAR
SCHEMBL8457119 0.88 SCN1A (0.36) SERPINE1KMT2ARAB9ASMN1; SMN2
SCHEMBL8457114 0.88 SCN1A (0.36) SERPINE1KMT2ARAB9ASMN1; SMN2
SCHEMBL8457107 0.88 SCN1A (0.36) SERPINE1KMT2ARAB9ASMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5976408-A Acrylonitrile derivative, liquid crystal composition, and liquid crystal display device CHISSO CORPORATION (JP) 1999-11-02 — — US disclosed
EP-0820983-A1 ACRYLONITRILE DERIVATIVES, LIQUID-CRYSTAL COMPOSITION, AND LIQUID-CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 1998-01-28 — — EP disclosed
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