SCHEMBL7635813

SCHEMBL7635813

CCCCc1ccc(C(=O)OO[C]2CCC(C)C(C)C2)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.41
PLK1 P53350 1/20 0.41
THRA P10827 3/20 0.40
THRB P10828 3/20 0.40
CYP4A11 Q02928 2/20 0.38
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
MGLL Q99685 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP4F2 P78329 1/20 0.37
TRPV1 Q8NER1 1/20 0.37

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
SCHEMBL7628853 0.96 THRA (0.43) RARBTHRATHRBALDH1A1
SCHEMBL7633929 0.95 THRA (0.45) RARBTHRATHRBALDH1A1
SCHEMBL7632994 0.93 PLK1 (0.38) PLK1THRBCYP4A11MGLLALDH1A1
SCHEMBL7630153 0.89 MEN1 (0.40) PLK1DDB1CRBNMGLLALDH1A1
SCHEMBL7633239 0.86 RARB (0.43) RARBPLK1THRATHRBCYP4A11
SCHEMBL7634445 0.85 CYP4A11 (0.40) RARBPLK1THRATHRBCYP4A11
SCHEMBL7629657 0.83 THRA (0.46) RARBTHRATHRBCYP4A11ALDH1A1
SCHEMBL7630708 0.83 RARB (0.43) RARBPLK1THRATHRBCYP4A11
SCHEMBL7636996 0.82 RARB (0.49) RARBPLK1THRATHRBCYP4A11
SCHEMBL7630517 0.82 THRA (0.48) RARBTHRATHRBALDH1A1

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