SCHEMBL15313392

SCHEMBL15313392

COC(=O)C12CCCC(C(=O)OC)(CC1)C2Br

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.39
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
MAPT P10636 1/20 0.34
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 1/20 0.32
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
CYP3A4 P08684 1/20 0.30
POLB P06746 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 0.98 NPSR1 (0.41) NPSR1CYP4F2CYP4A11MAPTALDH1A1
SCHEMBL13769770 0.86 CYP4F2 (0.35) NPSR1CYP4F2CYP4A11LMNACYP3A4
SCHEMBL15313393 0.81 NPSR1 (0.41) NPSR1CYP4F2CYP4A11MAPTALDH1A1
SCHEMBL26968009 0.80 NPSR1 (0.34) NPSR1MAPTLMNAMEN1KMT2A
SCHEMBL12919607 0.78 NPSR1 (0.42) NPSR1CYP4F2CYP4A11MAPTALDH1A1
SCHEMBL2833742 0.75 CYP3A4 (0.44) NPSR1CYP4F2CYP4A11MAPTALDH1A1
SCHEMBL20054732 0.73 CYP3A4 (0.50) NPSR1MAPTALDH1A1L3MBTL1LMNA
SCHEMBL29278748 0.73 MEN1 (0.33) NPSR1LMNAMEN1KMT2A
SCHEMBL1709532 0.72 CYP3A4 (0.45) NPSR1CYP4F2CYP4A11MAPTALDH1A1
SCHEMBL3669479 0.71 NPSR1 (0.39) NPSR1CYP4F2CYP4A11MAPTALDH1A1

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-8558013-B2 Electroluminescent materials LOMOX LIMITED (GB) 2013-10-15 US disclosed