SCHEMBL4820484

SCHEMBL4820484

CCCc1ccc(-c2ccc(C#N)c(F)c2)c(-c2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 6/20 0.47
CYP11B2 P19099 6/20 0.47
KDM1A O60341 11/20 0.43
KCNJ1 P48048 2/20 0.42
PPARG P37231 1/20 0.40

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
SCHEMBL8379621 1.00 CYP11B1 (0.47) CYP11B1CYP11B2KDM1AKCNJ1PPARG
SCHEMBL8377160 0.92 RARB (0.45) CYP11B1CYP11B2KDM1AKCNJ1
SCHEMBL4818894 0.92 RARB (0.45) CYP11B1CYP11B2KDM1AKCNJ1
SCHEMBL8380765 0.91 RARB (0.46) CYP11B1CYP11B2KDM1AKCNJ1
SCHEMBL29038973 0.82 CYP19A1 (0.52) PPARG
SCHEMBL9755559 0.81 TSHR (0.49) CYP11B1CYP11B2KDM1AKCNJ1PPARG
SCHEMBL7511320 0.81 RARB (0.48) CYP11B1CYP11B2KDM1A
SCHEMBL29084019 0.80 PPARG (0.49) PPARG
SCHEMBL20041892 0.80 CYP11B1 (0.51) CYP11B1CYP11B2KCNJ1
SCHEMBL19568096 0.80 CYP19A1 (0.52) PPARG

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-7335405-B2 Nematic liquid crystal mixtures for use in bistable display devices NEMOPTIC (FR) 2008-02-26 US disclosed
US-20060249708-A1 Nematic liquid crystal mixtures for use in bistable display devices CDC PROPRIETE INTELLECTUELLE (FR) 2006-11-09 US disclosed