SCHEMBL7625966

SCHEMBL7625966

Cc1ccccc1C(=O)OO[C]1CCCCC1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.43
RAB9A P51151 2/20 0.43
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
HTT P42858 1/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36

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
SCHEMBL7629946 0.84 ATM (0.47) MEN1KMT2AESR1ESR2NPSR1
SCHEMBL7632159 0.84 LMNA (0.36) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL7627874 0.84 NPC1 (0.41) NPC1RAB9AMEN1KMT2AESR1
SCHEMBL7630956 0.83 NPC1 (0.40) NPC1RAB9AMEN1KMT2AESR1
SCHEMBL7636804 0.83 NPC1 (0.36) NPC1RAB9AMEN1KMT2AESR1
SCHEMBL7633393 0.83 NPC1 (0.39) NPC1RAB9AMEN1KMT2AESR1
SCHEMBL7625741 0.82 NPC1 (0.42) NPC1RAB9AMEN1KMT2AESR1
SCHEMBL7634497 0.82 LMNA (0.46) MEN1KMT2ACYP2C9CYP2C19LMNA
SCHEMBL7630185 0.81 NPC1 (0.37) NPC1RAB9AMEN1KMT2AESR1
SCHEMBL7625726 0.78 KMT2A (0.49) NPC1RAB9AMEN1KMT2AESR1

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