SCHEMBL19985530

SCHEMBL19985530

C=CC1CCC(c2ccc(-c3ccc(OC)c(F)c3F)c(F)c2F)CC1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 11/20 0.34
FEN1 P39748 11/20 0.34
FPR2 P25090 5/20 0.34
ALDH1A1 P00352 1/20 0.32
PPARG P37231 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
PFKFB3 Q16875 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
SCHEMBL12716293 0.94 ALDH1A1 (0.35) ALOX5APFEN1ALDH1A1PPARGPPARD
SCHEMBL4549748 0.94 ALDH1A1 (0.35) ALOX5APFEN1ALDH1A1PPARGPPARD
SCHEMBL8935111 0.94 ALOX5AP (0.38) ALOX5APFEN1FPR2
SCHEMBL172082 0.90 ALDH1A1 (0.33) ALDH1A1PPARGPPARDPPARA
SCHEMBL12189527 0.90 ALDH1A1 (0.33) ALDH1A1PPARGPPARDPPARA
SCHEMBL8962276 0.90 ALOX5AP (0.36) ALOX5APFEN1FPR2
SCHEMBL19985528 0.87 FPR2 (0.34) ALOX5APFEN1FPR2
SCHEMBL19985535 0.85 ALOX5AP (0.33) ALOX5APFEN1FPR2PFKFB3
SCHEMBL15723082 0.85
SCHEMBL14137831 0.84 FPR2 (0.33) ALOX5APFEN1FPR2ALDH1A1PPARG

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-20180079959-A1 LIQUID CRYSTAL ELEMENT WITH NEGATIVE DIELECTRIC ANISOTROPY DIC CORPORATION (JP) 2018-03-22 US disclosed
US-20180079959-A1 LIQUID CRYSTAL ELEMENT WITH NEGATIVE DIELECTRIC ANISOTROPY DIC CORPORATION (JP) 2018-03-22 US disclosed