Sugi Predict

Sugi Predict / Compounds / SCHEMBL9016953

SCHEMBL9016953

SCHEMBL9016953

C/C=C/CCC1CCC(c2ccc(-c3ccc(-c4ccc(O)c(F)c4F)cc3)c(F)c2)CO1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.36
▸ FASN P49327 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ APP P05067 1/20 0.31

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
SCHEMBL8944568 0.90 ALOX5 (0.33) ALOX5
SCHEMBL9016810 0.89 ALOX5 (0.38) ALOX5
SCHEMBL8944579 0.88 ALOX5 (0.32) ALOX5FASNCYP3A4CYP2C9APP
SCHEMBL10163867 0.88 ALOX5 (0.32) ALOX5
SCHEMBL9017975 0.87 CYP3A4 (0.30) CYP3A4CYP2C9APP
SCHEMBL8944416 0.87 FPR2 (0.34) ALOX5
SCHEMBL9017157 0.86 ALOX5 (0.32) ALOX5
SCHEMBL8944523 0.86 FPR2 (0.34) ALOX5
SCHEMBL8944355 0.86 ALOX5 (0.33) ALOX5
SCHEMBL9017198 0.86 — —

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-8187494-B2 Four- or five-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-05-29 — — US disclosed
EP-2206695-A1 TETRA- OR PENTA-CYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT Chisso Corporation (JP) 2010-07-14 — — EP disclosed