SCHEMBL2284812

SCHEMBL2284812

CCCCCC(N)n1cccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.44
SPHK1 Q9NYA1 2/20 0.38
TP53 P04637 2/20 0.36
LAP3 P28838 2/20 0.36
CYP2D6 P10635 2/20 0.35
PLA2G1B P04054 1/20 0.35
PLA2G2A P14555 1/20 0.35
GMNN O75496 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
THPO P40225 1/20 0.35
MTOR P42345 1/20 0.35
BLM P54132 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
CETP P11597 1/20 0.35
HTT P42858 1/20 0.35
UBE2N P61088 1/20 0.35

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
SCHEMBL5251061 0.93 OPRM1 (0.36) OPRM1SPHK1SLC1A2SLC1A1
SCHEMBL21668004 0.76 OPRM1 (0.41) OPRM1SPHK1TP53LMNAHTT
SCHEMBL24004513 0.76 FDPS (0.39) OPRM1LMNA
SCHEMBL28173817 0.76 FDPS (0.39) OPRM1LMNA
SCHEMBL9711420 0.76 OPRM1 (0.41) OPRM1SPHK1TP53LMNAHTT
SCHEMBL10770402 0.75 CYP17A1 (0.44) OPRM1CYP2D6PLA2G1BPLA2G2ACYP1A2
SCHEMBL3796989 0.74 GPR84 (0.42) SPHK1TP53CYP2D6GMNNLMNA
SCHEMBL28189919 0.74 OPRM1 (0.39) OPRM1SPHK1LMNAHTT
SCHEMBL27813576 0.74 OPRM1 (0.39) OPRM1SPHK1LMNAHTT
SCHEMBL28090871 0.74 OPRM1 (0.39) OPRM1SPHK1LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7998726-B2 Method for fixing a protein on a pyrrole-based polymer and use thereof for making a sensor COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2011-08-16 US disclosed
EP-1563304-B1 METHOD FOR FIXING A PROTEIN ON A PYRROLE-BASED POLYMER AND USE THEREOF FOR MAKING A SENSOR COMMISSARIAT ENERGIE ATOMIQUE (FR) 2010-09-15 EP disclosed
US-20060035208-A1 Method for fixing a protein on a pyrrole-based polymer and use thereof for making a sensor COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2006-02-16 US disclosed
EP-1563304-A1 METHOD FOR FIXING A PROTEIN ON A PYRROLE-BASED POLYMER AND USE THEREOF FOR MAKING A SENSOR Commissariat A L'Energie Atomique (FR) 2005-08-17 EP disclosed
WO-2004048972-A1 METHOD FOR FIXING A PROTEIN ON A PYRROLE-BASED POLYMER AND USE THEREOF FOR MAKING A SENSOR COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2004-06-10 WO disclosed