SCHEMBL7633581

SCHEMBL7633581

CCCCCC[C](C)OOC(=O)c1ccc(OC)c(OC)c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.53
SMPD1 P17405 4/20 0.50
EPHX2 P34913 1/20 0.50
THRA P10827 1/20 0.49
THRB P10828 1/20 0.49
HDAC3 O15379 1/20 0.49
HDAC2 Q92769 1/20 0.49
MAPT P10636 2/20 0.48
TSHR P16473 2/20 0.48
POLB P06746 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL7634191 0.85 CYP3A4 (0.47) POLBCYP3A4
SCHEMBL7633169 0.83 MAPT (0.55) MAPTTSHRPOLBCYP1A2CYP3A4
SCHEMBL7631122 0.82 CA1 (0.47) MGLLHDAC3HDAC2TSHR
SCHEMBL7628311 0.81 KMT2A (0.50) EPHX2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7636920 0.81 MGLL (0.43) MGLLTHRATHRBHDAC3HDAC2
SCHEMBL7627944 0.81 EPHX2 (0.51) SMPD1EPHX2THRATHRBMAPT
SCHEMBL9588048 0.80 THRA (0.66) SMPD1EPHX2THRATHRB
SCHEMBL7630164 0.80 PLA2G2A (0.43) EPHX2HDAC3HDAC2MAPTTSHR
SCHEMBL7636353 0.80 MAPT (0.46) EPHX2HDAC3HDAC2MAPT
SCHEMBL8778631 0.80 TSHR (0.70) MAPTTSHRPOLBCYP1A2CYP3A4

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