SCHEMBL9815844

SCHEMBL9815844

O=C(O)C(=O)OC(Cl)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
CYP2D6 P10635 1/20 0.41
SRC P12931 1/20 0.41
TSHR P16473 1/20 0.41
LMNA P02545 3/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HCAR2 Q8TDS4 1/20 0.37
HTT P42858 1/20 0.37
KLK7 P49862 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC4 P56524 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
SCHEMBL27840777 0.91 CYP2D6 (0.44) ESR1ESR2CYP2D6SRCTSHR
SCHEMBL984298 0.83 CYP2D6 (0.44) ESR1ESR2CYP2D6SRCTSHR
SCHEMBL1096587 0.83 CYP2D6 (0.44) ESR1ESR2CYP2D6SRCTSHR
SCHEMBL396062 0.81 HPGD (0.44) ESR1ESR2CYP2D6SRCTSHR
SCHEMBL825537 0.81 CYP2D6 (0.48) ESR1ESR2CYP2D6SRCTSHR
SCHEMBL28752433 0.80 ESR1 (0.55) ESR1ESR2CYP2D6SRCLMNA
SCHEMBL28662805 0.80 HPGD (0.43) ESR1ESR2CYP2D6SRCTSHR
SCHEMBL1408551 0.79 ALDH1A1 (0.55) CYP2D6SRCTSHRLMNAMAPK1
SCHEMBL286761 0.79 CYP2D6 (0.48) CYP2D6SRCTSHRLMNAMAPK1
SCHEMBL9860565 0.78 HCAR2 (0.56) ESR1ESR2CYP2D6SRCTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3128278-A None JP disclosed
CN-102171054-B Thermosensitive recording medium and method for producing same OJI PAPER CO 2013-06-05 CN disclosed
CN-102171054-A Thermosensitive recording medium and method for producing same OJI PAPER CO 2011-08-31 CN disclosed
JP-H03128278-A THERMAL RECORDING SHEET MITSUBISHI PAPER MILLS LTD 1991-05-31 JP disclosed