SCHEMBL4753078

SCHEMBL4753078

CC(C)(C)[CH]C(CC1CCCCC1)OC(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ HTR2A P28223 1/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ MAPT P10636 2/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ ADAMTS4 O75173 1/20 0.39
▸ ADAMTS5 Q9UNA0 1/20 0.39
▸ BCL9 O00512 1/20 0.39
▸ CTNNB1 P35222 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ GAA P10253 1/20 0.38
▸ NAAA Q02083 1/20 0.38
▸ EPHX1 P07099 1/20 0.37

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
SCHEMBL4754617 0.80 SMN1; SMN2 (0.46) L3MBTL1HTR2ASMN1; SMN2MAPTKMT2A
SCHEMBL2993617 0.77 L3MBTL1 (0.41) L3MBTL1HTR2ASMN1; SMN2MAPTKMT2A
SCHEMBL6820153 0.76 MAPT (0.49) HTR2ASMN1; SMN2MAPTKMT2AMEN1
SCHEMBL6397367 0.76 HTR2A (0.49) L3MBTL1HTR2ASMN1; SMN2MAPTKMT2A
SCHEMBL6820152 0.75 HTR2A (0.51) L3MBTL1HTR2ASMN1; SMN2MAPTKMT2A
SCHEMBL5017678 0.75 HTR2A (0.50) HTR2ASMN1; SMN2MAPTKMT2AMEN1
SCHEMBL4753079 0.72 HTR2A (0.42) L3MBTL1HTR2ASMN1; SMN2MAPTKMT2A
SCHEMBL29550444 0.72 HTR2A (0.50) HTR2ASMN1; SMN2MAPTKMT2AMEN1
SCHEMBL2162724 0.72 CTSS (0.48) MAPTCYP1A2CYP2D6ALDH1A1
SCHEMBL2162730 0.72 CTSS (0.48) MAPTCYP1A2CYP2D6ALDH1A1

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-2008156832-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2008-12-24 — — WO disclosed
Send feedback