SCHEMBL11069958

SCHEMBL11069958

COC1(c2cccc(C)c2C)OC(=O)CC(=O)O1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HPGD P15428 2/20 0.33
CCR2 P41597 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TRPA1 O75762 1/20 0.33
ATM Q13315 1/20 0.33
CTSV O60911 2/20 0.32
CTSL P07711 2/20 0.32
CTSB P07858 2/20 0.32
CTSS P25774 2/20 0.32
CTSK P43235 2/20 0.32
CTSC P53634 2/20 0.32
CTSF Q9UBX1 2/20 0.32

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
SCHEMBL8121004 0.70 HDAC4 (0.38) CYP1A2CYP3A4CYP2C9CYP2C19NPSR1
SCHEMBL11134355 0.69 HDAC4 (0.37) CYP1A2CYP3A4CYP2C9CYP2C19NPSR1
SCHEMBL576914 0.65 CYP1A2 (0.35) CYP1A2CYP3A4CYP2C9CYP2C19NPSR1
SCHEMBL8121148 0.63 KMT2A (0.43) NPSR1HTTHPGDALDH1A1
SCHEMBL20580045 0.63 LMNA (0.59) CYP1A2CYP3A4CYP2C9CYP2C19NPSR1
SCHEMBL17911548 0.63 SIGMAR1 (0.43) CYP1A2KDM4EALDH1A1
SCHEMBL14314922 0.62 CCR2 (0.39) CYP1A2CYP3A4CYP2C9CYP2C19NPSR1
SCHEMBL576426 0.62 PDE7A (0.38) CYP1A2CYP3A4CYP2C9CYP2C19NPSR1
SCHEMBL13536250 0.62 CCR2 (0.36) CYP1A2CYP3A4CYP2C9CYP2C19NPSR1
SCHEMBL577590 0.60 CCR2 (0.41) CYP1A2CYP3A4CYP2C9CYP2C19NPSR1

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-0107654-A4 COATED SURFACE STABILIZED POLYCARBONATE ARTICLE. GEN ELECTRIC (US) 1984-08-10 EP disclosed
EP-0107654-A1 COATED SURFACE STABILIZED POLYCARBONATE ARTICLE. GEN ELECTRIC (US) 1984-05-09 EP disclosed
WO-1983003905-A1 COATED SURFACE STABILIZED POLYCARBONATE ARTICLE GENERAL ELECTRIC COMPANY (US) 1983-11-10 WO disclosed