SCHEMBL2124307

SCHEMBL2124307

CCc1cccc2c1C(c1cc(C3c4ccccc4Oc4cccc(CC)c43)c(C3c4ccccc4Oc4cccc(CC)c43)cc1C1c3ccccc3Oc3cccc(CC)c31)c1ccccc1O2

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.46
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
USP2 O75604 1/20 0.42
MAOA P21397 2/20 0.41
CYP2C9 P11712 1/20 0.41
ATM Q13315 2/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAOB P27338 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MAPT P10636 2/20 0.38
PKM P14618 1/20 0.38
LMNA P02545 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
SCHEMBL2125823 0.91 HTT (0.46) HTTKMT2AMEN1USP2MAOA
SCHEMBL2885668 0.86 HTT (0.45) HTTKMT2AMEN1USP2MAOA
SCHEMBL1423891 0.78 HTT (0.48) HTTKMT2AMEN1USP2MAOA
SCHEMBL28256758 0.77 HTT (0.45) HTTKMT2AMEN1USP2MAOA
SCHEMBL2885969 0.76 HTT (0.44) HTTKMT2AMEN1USP2MAOA
Potassium Ion SCHEMBL4430077 0.74 HTT (0.54) HTTKMT2AMEN1USP2ATM
SCHEMBL8507081 0.74 HTT (0.54) HTTKMT2AMEN1USP2ATM
SCHEMBL2230565 0.74 HTT (0.54) HTTKMT2AMEN1USP2ATM
SCHEMBL8506452 0.74 HTT (0.54) HTTKMT2AMEN1USP2ATM
SCHEMBL2124488 0.72 HTT (0.40) 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
EP-2443483-A1 MULTI-ARMED MACROMONOMERS, POLYMERIC MATERIALS AND CONTACT LENSES COMPRISING SAME Bausch & Lomb Incorporated (US) 2012-04-25 EP disclosed