SCHEMBL27957352

SCHEMBL27957352

CC(C)(c1cccc(CO)c1)c1cccc(CO)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.50
ESR2 Q92731 2/20 0.50
KLF10 Q13118 1/20 0.47
ENPP2 Q13822 1/20 0.45
IKBKB O14920 1/20 0.43
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
TSHR P16473 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
PDK1 Q15118 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK3 Q15120 1/20 0.41
PDK4 Q16654 1/20 0.41
PRKCI P41743 1/20 0.41
PRKCA P17252 1/20 0.41
PRKCD Q05655 1/20 0.41
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39

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
SCHEMBL30484278 0.87 IKBKB (0.50) ENPP2IKBKBPRSS1PRSS2PRSS3
SCHEMBL2600025 0.87 IKBKB (0.50) ENPP2IKBKBPRSS1PRSS2PRSS3
SCHEMBL2636462 0.85 PDK1 (0.44) ENPP2IKBKBPRSS1PRSS2PRSS3
SCHEMBL21323190 0.85 ESR1 (0.46) ESR1ESR2KLF10ENPP2IKBKB
SCHEMBL19120840 0.83 ESR1 (0.45) ESR1ESR2KLF10IKBKBPDK1
SCHEMBL18766215 0.83 CYP1A2 (0.47) ENPP2IKBKBPRSS1PRSS2PRSS3
SCHEMBL2692186 0.83 PDK1 (0.46) ENPP2IKBKBPRSS1PRSS2PRSS3
SCHEMBL16105424 0.82 KIF11 (0.49) ESR1ESR2CYP1A2CYP2C19HTR2A
SCHEMBL13462526 0.82 NPC1 (0.42) ENPP2IKBKBPRSS1PRSS2PRSS3
SCHEMBL15760729 0.82 CYP1A2 (0.46) ESR1ESR2ENPP2IKBKBPRSS1

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
CN-104017152-B The manufacture method of stereocomplex polylactic acid resin composition and stereocomplex polylactic acid resin composition 三井化学株式会社 2016-06-29 CN disclosed
CN-104017153-A Polylactic acid resin composition MITSUI CHEMICALS INC 2014-09-03 CN disclosed
CN-104017152-A Stereocomplex polylactic acid resin composition and process for producing stereocomplex polylactic acid resin composition MITSUI CHEMICALS INC 2014-09-03 CN disclosed
CN-102459391-B Polylactic acid resin, method for producing polylactic acid resin, polylactic acid resin composition, stereocomplex polylactic acid resin composition, and method for producing stereocomplex polylactic acid resin composition MITSUI CHEMICALS INC 2014-07-09 CN disclosed