SCHEMBL4820159

SCHEMBL4820159

CCC[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 8)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 10/20 0.38
SLC22A12 Q96S37 1/20 0.38
EGLN2 Q96KS0 2/20 0.37
NFE2L2 Q16236 4/20 0.37
CYP11B1 P15538 2/20 0.37
CYP11B2 P19099 2/20 0.37
KEAP1 Q14145 1/20 0.36
CHRM4 P08173 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
SCHEMBL4823881 0.94 LTB4R2 (0.38) KDM1ASLC22A12EGLN2NFE2L2CYP11B1
SCHEMBL4653198 0.94 NFE2L2 (0.37) KDM1ASLC22A12EGLN2NFE2L2CYP11B1
SCHEMBL4818950 0.92 EGLN2 (0.38) KDM1ASLC22A12EGLN2NFE2L2CYP11B1
SCHEMBL4651023 0.88 KDM1A (0.40) KDM1ASLC22A12EGLN2
SCHEMBL9763895 0.85 NFE2L2 (0.41) NFE2L2KEAP1
SCHEMBL9763900 0.85 NFE2L2 (0.41) NFE2L2KEAP1
SCHEMBL4650931 0.84 LTB4R2 (0.43) SLC22A12CYP11B1CYP11B2CHRM4
SCHEMBL5886343 0.83 CYP2C9 (0.41) KDM1ASLC22A12EGLN2CHRM4
SCHEMBL8676866 0.83 CYP2C9 (0.41) KDM1ASLC22A12EGLN2CHRM4
SCHEMBL4826565 0.83 NFE2L2 (0.42) NFE2L2KEAP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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