SCHEMBL13769770

SCHEMBL13769770

CCC(=O)C12CCCC(C(=O)OC)(CCC1)C2Br

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
NPSR1 Q6W5P4 1/20 0.33
ABCB11 O95342 1/20 0.30
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CYP3A4 P08684 1/20 0.30
CHRM5 P08912 1/20 0.30
CYP2D6 P10635 1/20 0.30
CHRM1 P11229 1/20 0.30
CYP2C9 P11712 1/20 0.30
TSHR P16473 1/20 0.30
CHRM3 P20309 1/20 0.30
DRD1 P21728 1/20 0.30
HRH2 P25021 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HRH1 P35367 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
SCHEMBL12919608 0.88 NPSR1 (0.41) CYP4F2CYP4A11NPSR1LMNACYP3A4
SCHEMBL15313392 0.86 NPSR1 (0.39) CYP4F2CYP4A11NPSR1LMNACYP3A4
SCHEMBL26968009 0.72 NPSR1 (0.34) NPSR1LMNATSHR
SCHEMBL12919607 0.70 NPSR1 (0.42) CYP4F2CYP4A11NPSR1LMNACYP3A4
SCHEMBL15313393 0.69 NPSR1 (0.41) CYP4F2CYP4A11NPSR1LMNACYP3A4
SCHEMBL2833742 0.67 CYP3A4 (0.44) CYP4F2CYP4A11NPSR1ABCB11LMNA
SCHEMBL12919597 0.67 ALDH1A1 (0.37) ABCB11LMNACYP1A2CHRM2CHRM4
SCHEMBL15125183 0.66 NPSR1 (0.38) CYP4F2CYP4A11NPSR1LMNACHRM1
SCHEMBL20054732 0.66 CYP3A4 (0.50) NPSR1ABCB11LMNACYP1A2CHRM2
SCHEMBL29278748 0.66 MEN1 (0.33) NPSR1LMNA

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
WO-2009087364-A1 ELECTROLUMINESCENT MATERIALS LOMOX LIMITED (GB) 2009-07-16 WO disclosed