SCHEMBL7633441

SCHEMBL7633441

COc1ccc(C(=O)OO[C]2CCCCC2C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.50
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
EPHX2 P34913 1/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
KMT2A Q03164 1/20 0.39
HPGD P15428 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL7633038 0.86 TDP1 (0.41) MAPK1SMN1; SMN2ALDH1A1MAPTNPC1
SCHEMBL7630809 0.85 MEN1 (0.47) SMN1; SMN2ALDH1A1MAPTNPC1RAB9A
SCHEMBL7634497 0.85 LMNA (0.46) ALDH1A1KMT2ALMNACYP1A2CYP2C9
SCHEMBL7628466 0.84 MAPK1 (0.48) MAPK1CA1CA2SMN1; SMN2ALDH1A1
SCHEMBL7630933 0.83 MAPK1 (0.47) MAPK1CA1CA2SMN1; SMN2ALDH1A1
SCHEMBL7633570 0.83 CA1 (0.44) MAPK1CA1CA2SMN1; SMN2ALDH1A1
SCHEMBL7627674 0.83 CA1 (0.44) MAPK1CA1CA2SMN1; SMN2ALDH1A1
SCHEMBL7626481 0.83 ALDH1A1 (0.42) CA1CA2SMN1; SMN2ALDH1A1MAPT
SCHEMBL7633653 0.83 NPC1 (0.32) MAPK1CA1CA2SMN1; SMN2ALDH1A1
SCHEMBL7628217 0.83 SCN1A (0.44) SMN1; SMN2ALDH1A1MAPTNPC1RAB9A

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