SCHEMBL7633342

SCHEMBL7633342

[CH2]OOC(=O)c1ccc(CC)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.55
PLK1 P53350 1/20 0.50
TDP1 Q9NUW8 2/20 0.47
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ESR1 P03372 3/20 0.43
LMNA P02545 3/20 0.43
POLB P06746 2/20 0.43
TSHR P16473 2/20 0.43
CHRM1 P11229 1/20 0.43
SLC6A2 P23975 1/20 0.43
KDR P35968 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
THRB P10828 1/20 0.42
CA12 O43570 1/20 0.41

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
SCHEMBL7632231 0.89 THRB (0.56) ALDH1A1PLK1ESR1POLBMEN1
SCHEMBL36204 0.87 ALDH1A1 (0.64) ALDH1A1PLK1TDP1TAS1R3TAS1R1
SCHEMBL7632262 0.85 THRA (0.58) ALDH1A1PLK1MEN1KMT2ATHRB
SCHEMBL7627693 0.84 THRB (0.59) ALDH1A1MEN1KMT2ATHRBCYP4A11
SCHEMBL7632116 0.83 THRA (0.60) ALDH1A1TDP1MEN1KMT2ATHRB
SCHEMBL7631078 0.82 ALDH1A1 (0.53) ALDH1A1PLK1TDP1TAS1R3TAS1R1
SCHEMBL7629576 0.81 ALDH1A1 (0.52) ALDH1A1PLK1TDP1TAS1R3TAS1R1
SCHEMBL9073773 0.80 ALDH1A1 (0.55) ALDH1A1PLK1TDP1TAS1R3TAS1R1
SCHEMBL7637334 0.80 ALDH1A1 (0.55) ALDH1A1PLK1TDP1TAS1R3TAS1R1
SCHEMBL7628183 0.79 ALDH1A1 (0.50) ALDH1A1PLK1TDP1TAS1R3TAS1R1

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