SCHEMBL7623780

SCHEMBL7623780

CCCCCC[C](C)OOC(=O)c1cccc(OCC)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 4/20 0.50
THRA P10827 1/20 0.49
THRB P10828 1/20 0.49
PLA2G4B P0C869 2/20 0.47
KMT2A Q03164 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HPGD P15428 2/20 0.44
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
ALOX12 P18054 1/20 0.43
RECQL P46063 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NR1H4 Q96RI1 2/20 0.43
HDAC3 O15379 1/20 0.43

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
SCHEMBL7627944 0.89 EPHX2 (0.51) SMPD1THRATHRBKMT2ASMN1; SMN2
SCHEMBL7633506 0.84 NPC1 (0.51) THRATHRBPLA2G4BKMT2ASMN1; SMN2
SCHEMBL7631400 0.84 KMT2A (0.56) KMT2ASMN1; SMN2HPGDKDM4EMEN1
SCHEMBL7630515 0.83 HDAC3 (0.43) KMT2ASMN1; SMN2HPGDMEN1ALDH1A1
SCHEMBL7625349 0.81 CES2 (0.55) KMT2AMEN1ALDH1A1MAPT
SCHEMBL7625322 0.81 KMT2A (0.55) KMT2ASMN1; SMN2HPGDKDM4EMEN1
SCHEMBL7633233 0.81 PTPN11 (0.47) MAPT
SCHEMBL7629805 0.81 KMT2A (0.49) KMT2ASMN1; SMN2HPGDKDM4EMEN1
SCHEMBL7631590 0.79 HPGD (0.44) SMPD1THRATHRBKMT2ASMN1; SMN2
SCHEMBL7632413 0.79 HPGD (0.44) SMPD1THRATHRBKMT2ASMN1; SMN2

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-1233014-A1 ASYMMETRIC ORGANIC PEROXIDE, CROSSLINKING AGENT COMPRISING THE SAME, AND METHOD OF CROSSLINKING WITH THE SAME NOF CORPORATION (JP) 2002-08-21 EP disclosed