SCHEMBL2885969

SCHEMBL2885969

CCc1cccc2c1C(Cc1ccc(CC3c4ccccc4Oc4cccc(CC)c43)cc1)c1ccccc1O2

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.44
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
USP2 O75604 1/20 0.40
MAOA P21397 2/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
GRM8 O00222 1/20 0.36
GRM7 Q14831 1/20 0.36
PKM P14618 1/20 0.36
MAPT P10636 1/20 0.36
MAOB P27338 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
SCHEMBL2124488 0.95 HTT (0.40) HTTKMT2AMEN1USP2MAOA
SCHEMBL2125823 0.79 HTT (0.46) HTTKMT2AMEN1USP2MAOA
SCHEMBL2736393 0.79 MAOA (0.50) KMT2AMEN1USP2MAOAL3MBTL1
SCHEMBL2124307 0.76 HTT (0.46) HTTKMT2AMEN1USP2MAOA
SCHEMBL31545658 0.75 LMNA (0.41) KMT2AMEN1USP2MAOAGRM8
SCHEMBL2885668 0.75 HTT (0.45) HTTKMT2AMEN1USP2MAOA
SCHEMBL28256758 0.75 HTT (0.45) HTTKMT2AMEN1USP2MAOA
SCHEMBL3088498 0.74 KMT2A (0.40) HTTKMT2AMEN1USP2MAOA
SCHEMBL79265 0.73 MAOA (0.48) HTTKMT2AMEN1USP2MAOA
SCHEMBL3092190 0.73 KMT2A (0.37) HTTKMT2AMEN1USP2MAOA

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-20100315588-A1 Biomedical devices BAUSCH & LOMB INCORPORATED (US) 2010-12-16 US disclosed