SCHEMBL7625784

SCHEMBL7625784

[CH2]OOC(=O)c1cccc(OC)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.62
CES1 P23141 1/20 0.62
PARP1 P09874 1/20 0.59
ESR1 P03372 1/20 0.58
ESR2 Q92731 1/20 0.58
SMN1; SMN2 Q16637 4/20 0.54
TP53 P04637 2/20 0.54
NPC1 O15118 6/20 0.53
RAB9A P51151 4/20 0.53
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
ABCG2 Q9UNQ0 1/20 0.50
ALDH1A1 P00352 1/20 0.50
PKM P14618 1/20 0.50
HPGD P15428 1/20 0.50
MAPK1 P28482 1/20 0.50
CASP3 P42574 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50

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
SCHEMBL23509 0.89 CES2 (0.71) CES2CES1PARP1ESR1ESR2
SCHEMBL6970519 0.86 CES2 (0.67) CES2CES1PARP1ESR1ESR2
SCHEMBL7652880 0.84 CES2 (0.65) CES2CES1PARP1ESR1ESR2
SCHEMBL7630425 0.83 ALDH1A1 (0.46) CES2CES1NPC1RAB9AMEN1
SCHEMBL7627551 0.83 CES2 (0.62) CES2CES1PARP1ESR1ESR2
SCHEMBL7634092 0.82 KMT2A (0.53) SMN1; SMN2TP53NPC1RAB9AMEN1
SCHEMBL7623955 0.82 CES2 (0.57) CES2CES1PARP1ESR1ESR2
SCHEMBL30393680 0.82 CES2 (0.71) CES2CES1PARP1ESR1ESR2
Methyl 3-Methoxybenzoate SCHEMBL384913 0.82 SMN1; SMN2 (0.73) CES2CES1PARP1ESR1ESR2
Methyl 3-Methoxybenzoate SCHEMBL29702092 0.82 SMN1; SMN2 (0.73) CES2CES1PARP1ESR1ESR2

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