SCHEMBL4818950

SCHEMBL4818950

CC[C@H]1CC[C@H](c2c(C(=O)O)cccc2-c2ccc(C#N)c(F)c2)CC1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 2/20 0.38
CYP11B2 P19099 4/20 0.38
CYP11B1 P15538 3/20 0.38
KDM1A O60341 11/20 0.38
SLC22A12 Q96S37 1/20 0.37
NFE2L2 Q16236 1/20 0.36

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
SCHEMBL4820159 0.92 KDM1A (0.38) EGLN2CYP11B2CYP11B1KDM1ASLC22A12
SCHEMBL4823881 0.91 LTB4R2 (0.38) EGLN2CYP11B2CYP11B1KDM1ASLC22A12
SCHEMBL4653198 0.90 NFE2L2 (0.37) EGLN2CYP11B2CYP11B1KDM1ASLC22A12
SCHEMBL4651032 0.87 KDM1A (0.39) EGLN2CYP11B2CYP11B1KDM1ASLC22A12
SCHEMBL9764052 0.84 NFE2L2 (0.40) NFE2L2
SCHEMBL9764047 0.84 NFE2L2 (0.40) NFE2L2
SCHEMBL7910488 0.83 KDM1A (0.41) EGLN2CYP11B2CYP11B1KDM1ASLC22A12
SCHEMBL7516189 0.83 KDM1A (0.41) EGLN2CYP11B2CYP11B1KDM1ASLC22A12
SCHEMBL4651023 0.80 KDM1A (0.40) EGLN2KDM1ASLC22A12
SCHEMBL4650766 0.78 KDM1A (0.39) KDM1ASLC22A12

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 4 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 claimed
US-20060249708-A1 Nematic liquid crystal mixtures for use in bistable display devices CDC PROPRIETE INTELLECTUELLE (FR) 2006-11-09 US claimed
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