SCHEMBL28019372

SCHEMBL28019372

CCCCCCCCCCCc1ccccc1.Cc1c(C(=O)O)cccc1C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 5/20 0.60
PLK3 Q9H4B4 3/20 0.58
RARB P10826 7/20 0.56
KAT8 Q9H7Z6 3/20 0.54
PPARA Q07869 2/20 0.54
RARA P10276 2/20 0.53
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 1/20 0.53
MAPT P10636 1/20 0.53
MTOR P42345 1/20 0.53
KMT2A Q03164 1/20 0.53
RARG P13631 1/20 0.52
EP300 Q09472 1/20 0.51
KAT5 Q92993 1/20 0.51
PPARG P37231 1/20 0.50
KCNH2 Q12809 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
SCHEMBL28015889 1.00 PLK1 (0.60) PLK1PLK3RARBKAT8PPARA
SCHEMBL28019371 1.00 PLK1 (0.60) PLK1PLK3RARBKAT8PPARA
SCHEMBL28131071 1.00 PLK1 (0.60) PLK1PLK3RARBKAT8PPARA
SCHEMBL28019373 1.00 PLK1 (0.60) PLK1PLK3RARBKAT8PPARA
SCHEMBL28019900 1.00 PLK1 (0.60) PLK1PLK3RARBKAT8PPARA
SCHEMBL28019889 1.00 PLK1 (0.60) PLK1PLK3RARBKAT8PPARA
Heptane SCHEMBL28015335 0.88 ALDH1A1 (0.50) PLK1KAT8PPARAMEN1ALDH1A1
Octane SCHEMBL28201125 0.88 ALDH1A1 (0.50) PLK1KAT8PPARAMEN1ALDH1A1
Dodecane SCHEMBL27541220 0.88 ALDH1A1 (0.50) PLK1KAT8PPARAMEN1ALDH1A1
SCHEMBL27676199 0.88 ALDH1A1 (0.50) PLK1KAT8PPARAMEN1ALDH1A1

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-106715669-A Azeotropic like composition containing 2-chloro-1,3,3,3-tetrafluoropropene and 1-chloro-3,3,3-trifluoropropene 中央硝子株式会社 2017-05-24 CN disclosed
CN-104675460-B Method For Converting Thermal Energy Into Mechanical Energy, Organic Rankine Cycle Device, And Method For Replacing Working Fluid 中央硝子株式会社 2017-04-12 CN disclosed
CN-105408442-A Heat transmission method and high-temperature heat pump device CENTRAL GLASS CO LTD 2016-03-16 CN disclosed
CN-104675460-A Method For Converting Thermal Energy Into Mechanical Energy, Organic Rankine Cycle Device, And Method For Replacing Working Fluid CENTRAL GLASS CO LTD 2015-06-03 CN disclosed