SCHEMBL5656898

SCHEMBL5656898

O=C(O)c1cc2cc3ccc(O)cc3oc-2cc1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.56
PTGS1 P23219 1/20 0.56
PTGS2 P35354 1/20 0.56
PDE4B Q07343 1/20 0.56
PDE4D Q08499 1/20 0.56
SHBG P04278 1/20 0.54
CALCRL Q16602 2/20 0.54
POLH Q9Y253 2/20 0.52
MAOA P21397 3/20 0.50
CYP19A1 P11511 2/20 0.50
MAOB P27338 2/20 0.50
CALM1 P0DP23 2/20 0.50
PKM P14618 2/20 0.50
FTO Q9C0B1 2/20 0.50
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
AKR1B1 P15121 2/20 0.50
CA9 Q16790 2/20 0.50
AKR1B10 O60218 1/20 0.50
CA2 P00918 1/20 0.50

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
SCHEMBL37883 0.75 MAOA (0.76) MAOAMAOBPKMCA12CA1
SCHEMBL5656903 0.74 USP2 (0.52) TYRPTGS1PTGS2PDE4BPDE4D
SCHEMBL308343 0.74 SHBG (0.67) TYRPTGS1PTGS2PDE4BPDE4D
Moracin M SCHEMBL29979946 0.73 PDE4D (1.00) TYRPTGS1PTGS2PDE4BPDE4D
Moracin M SCHEMBL1740981 0.73 PDE4D (1.00) TYRPTGS1PTGS2PDE4BPDE4D
SCHEMBL20473143 0.72 SHBG (0.79) TYRPTGS1PTGS2PDE4BPDE4D
SCHEMBL9138143 0.71 SHBG (1.00) TYRPTGS1PTGS2PDE4BPDE4D
SCHEMBL6407371 0.70 FLT3 (0.76) SHBGCA12CA1AKR1B1CA9
Alcohol SCHEMBL28576157 0.70 MEN1 (0.68) MAOAMAOBCA12CA1CA9
SCHEMBL8764976 0.68 PTGS1 (0.58) TYRPTGS1PTGS2PDE4BPDE4D

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1161265-A4 METHOD FOR THE IDENTIFICATION AND REMOVAL OF NITS FROM HAIR REID LORI FOX (US) 2006-01-11 EP disclosed
EP-1161265-A1 METHOD FOR THE IDENTIFICATION AND REMOVAL OF NITS FROM HAIR Reid, Lori Fox (US) 2001-12-12 EP disclosed
WO-2000054816-A1 METHOD FOR THE IDENTIFICATION AND REMOVAL OF NITS FROM HAIR REID LORI FOX (US) 2000-09-21 WO disclosed