SCHEMBL16836640

SCHEMBL16836640

CCCCCCCCCCCCCOc1ccc(C(=O)OC)c(C(=O)OC)c1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.62
MAOB P27338 1/20 0.62
PTPN11 Q06124 3/20 0.56
THRA P10827 5/20 0.53
THRB P10828 5/20 0.53
TP53 P04637 1/20 0.53
TSHR P16473 1/20 0.53
PLA2G4B P0C869 1/20 0.51
SMPD1 P17405 3/20 0.51

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
SCHEMBL8085882 0.98 MAOA (0.60) MAOAMAOBPTPN11THRATHRB
SCHEMBL21543811 0.95 MAOA (0.55) MAOAMAOBPTPN11THRATHRB
SCHEMBL8588735 0.94 MAOB (0.53) MAOAMAOBPTPN11THRATHRB
SCHEMBL28280526 0.93 PTPN11 (0.62) MAOAMAOBPTPN11TP53TSHR
SCHEMBL28870271 0.93 PTPN11 (0.62) MAOAMAOBPTPN11TP53TSHR
SCHEMBL20934601 0.90 MAOA (0.56) MAOAMAOBPTPN11THRATHRB
SCHEMBL26355067 0.90 MAOA (0.60) MAOAMAOBPTPN11THRATHRB
SCHEMBL19549621 0.90 MAOA (0.60) MAOAMAOBPTPN11THRATHRB
SCHEMBL18199320 0.89 PLA2G2A (0.50) MAOAMAOBTHRBTSHR
SCHEMBL20129246 0.88 RARB (0.54) MAOAMAOBPTPN11TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3083878-B1 COMPOSITE NANOPARTICLES INCLUDING A PHTHALIC ACID DERIVATIVE 3M INNOVATIVE PROPERTIES CO (US) 2018-10-03 EP disclosed
US-10066159-B2 Composite nanoparticles including a phthalic acid derivative 3M INNOVATIVE PROPERTIES COMPANY (US) 2018-09-04 US disclosed
EP-3083878-A1 COMPOSITE NANOPARTICLES INCLUDING A PHTHALIC ACID DERIVATIVE 3M Innovative Properties Company (US) 2016-10-26 EP disclosed
US-20160298029-A1 COMPOSITE NANOPARTICLES INCLUDING A PHTHALIC ACID DERIVATIVE 3M INNOVATIVE PROPERTIES COMPANY 2016-10-13 US disclosed
WO-2015094646-A1 COMPOSITE NANOPARTICLES INCLUDING A PHTHALIC ACID DERIVATIVE 3M INNOVATIVE PROPERTIES COMPANY (US) 2015-06-25 WO disclosed