SCHEMBL9014846

SCHEMBL9014846

C/C=C/CCC1CC=C(c2ccc(-c3ccc(-c4ccc(O)c(F)c4F)cc3)c(F)c2)CC1

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.39
MMP2 P08253 1/20 0.30
MMP3 P08254 1/20 0.30

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
SCHEMBL9016460 0.93 ESR2 (0.36) ESR2
SCHEMBL9019609 0.90 ESR2 (0.31) ESR2MMP2MMP3
SCHEMBL8936822 0.89 ESR2 (0.34) ESR2
SCHEMBL13263142 0.88 ESR2 (0.40) ESR2MMP2MMP3
SCHEMBL8936913 0.87 ESR2 (0.33) ESR2
SCHEMBL24230499 0.87 ESR2 (0.37) ESR2MMP2MMP3
SCHEMBL8936922 0.87 CCNT1 (0.34) ESR2
SCHEMBL13937466 0.86 ESR2 (0.35) ESR2
SCHEMBL8936929 0.86 PDE5A (0.32) ESR2
SCHEMBL8936843 0.86 ESR2 (0.32) ESR2

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-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