SCHEMBL15327019

SCHEMBL15327019

C=C(C)C(=O)OC(CC)COc1cccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.47
KDM4E B2RXH2 3/20 0.47
MEN1 O00255 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 1/20 0.47
NR2E1 Q9Y466 6/20 0.46
ALDH1A1 P00352 4/20 0.46
HPGD P15428 2/20 0.46
TSHR P16473 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYP2D6 P10635 4/20 0.44
ADRB2 P07550 3/20 0.44
ADRB1 P08588 3/20 0.44
SLC6A4 P31645 3/20 0.44
HTR2B P41595 3/20 0.44
SIGMAR1 Q99720 3/20 0.44
ADRB3 P13945 2/20 0.44
HTR2A P28223 2/20 0.44
HTR2C P28335 2/20 0.44
SCN1A P35498 2/20 0.44

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
SCHEMBL4202070 0.92 CYP1A2 (0.49) CYP1A2KDM4EMEN1CYP2C19KMT2A
SCHEMBL15302148 0.89
SCHEMBL4191426 0.89 CYP1A2 (0.46) CYP1A2KDM4EMEN1CYP2C19KMT2A
SCHEMBL4204682 0.89 CYP1A2 (0.46) CYP1A2KDM4EMEN1CYP2C19KMT2A
SCHEMBL15302899 0.88
SCHEMBL4194783 0.87 CYP1A2 (0.44) CYP1A2KDM4EMEN1CYP2C19KMT2A
SCHEMBL4197509 0.86 CYP1A2 (0.43) CYP1A2KDM4EMEN1CYP2C19KMT2A
SCHEMBL4194263 0.85 NR2E1 (0.45) CYP1A2KDM4EMEN1CYP2C19KMT2A
SCHEMBL4194786 0.83 NR2E1 (0.41) CYP1A2KDM4EMEN1CYP2C19KMT2A
SCHEMBL4202732 0.83 NR2E1 (0.41) CYP1A2KDM4EMEN1CYP2C19KMT2A

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-2653501-A1 CROSSLINKABLE RESIN MOLDED BODY, CROSSLINKED RESIN MOLDED BODY, AND LAMINATE Zeon Corporation (JP) 2013-10-23 EP disclosed