SCHEMBL8932369

SCHEMBL8932369

C=C(C)c1ccc(C(CC)N=C=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 2/20 0.40
NOS3 P29474 1/20 0.35
NOS2 P35228 1/20 0.35
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
LMNA P02545 1/20 0.32
ESR1 P03372 1/20 0.32
CYP1A2 P05177 1/20 0.32
PGR P06401 1/20 0.32
CHRM2 P08172 1/20 0.32
CYP3A4 P08684 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
AR P10275 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
CHRM1 P11229 1/20 0.32
CYP2C9 P11712 1/20 0.32
ALOX15 P16050 1/20 0.32
DRD1 P21728 1/20 0.32
TBXA2R P21731 1/20 0.32

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
SCHEMBL9227592 0.84 MIF (0.52) MIFNOS3NOS2LMNAESR1
SCHEMBL3927365 0.82 MIF (0.40) MIFNOS3NOS2HDAC8LMNA
SCHEMBL23527635 0.81 MIF (0.46) MIFNOS3NOS2LMNACYP1A2
SCHEMBL21259586 0.81 MIF (0.46) MIFNOS3NOS2LMNACYP1A2
SCHEMBL5411169 0.78 MIF (0.35) MIFNOS2
SCHEMBL10341453 0.76 MIF (0.44) MIFNOS3NOS2
SCHEMBL21259575 0.76 MIF (0.44) MIFLMNAMAPTTDP1
SCHEMBL6194699 0.76 MIF (0.44) MIFLMNASLC6A2SLC6A3TDP1
SCHEMBL959016 0.76 MIF (0.44) MIFCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL23527546 0.76 MIF (0.44) MIFLMNAMAPTTDP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5489699-A USED AS FREE RADICAL GENERATOR, POLYMERIZING ETHYNICALLY UNSATURATED MONOMERS, CURING AGENT, RHEOLOGICAL MODIFIER,AND FOR GRAFTING AND COMPATIBILIZING POLYMER BLEND ELFATOCHEM NORTH AMERICA, INC. (US) 1996-02-06 US disclosed
US-5399630-A Process for curing polymers using amino or hydrazino peroxides ELF ATOCHEM NORTH AMERICA, INC. (US) 1995-03-21 US disclosed