SCHEMBL16836639

SCHEMBL16836639

CCCCCCCCOc1cc(C(=O)O)c(C(=O)O)cc1OCCCCCCCC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 6/20 0.60
S1PR3 Q99500 1/20 0.60
PLA2G2A P14555 1/20 0.57
PTPN1 P18031 1/20 0.56
PTPN6 P29350 1/20 0.56
ALDH1A1 P00352 1/20 0.54
HPGD P15428 1/20 0.54
TP53 P04637 1/20 0.53
TSHR P16473 1/20 0.53
MEN1 O00255 1/20 0.53
NR1I2 O75469 1/20 0.53
LMNA P02545 1/20 0.53
CHRM2 P08172 1/20 0.53
CYP3A4 P08684 1/20 0.53
ADRA2A P08913 1/20 0.53
MAPT P10636 1/20 0.53
OPRK1 P41145 1/20 0.53
HTR2B P41595 1/20 0.53
SLC6A3 Q01959 1/20 0.53
KMT2A Q03164 1/20 0.53

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
SCHEMBL8679152 0.93 PTPN11 (0.64) PTPN11S1PR3PLA2G2APTPN1PTPN6
SCHEMBL4462194 0.93 PTPN11 (0.64) PTPN11S1PR3PLA2G2APTPN1PTPN6
SCHEMBL35210991 0.93 PTPN11 (0.64) PTPN11S1PR3PLA2G2APTPN1PTPN6
SCHEMBL668981 0.93 PTPN11 (0.64) PTPN11S1PR3PLA2G2APTPN1PTPN6
SCHEMBL10539639 0.93 PTPN11 (0.64) PTPN11S1PR3PLA2G2APTPN1PTPN6
SCHEMBL3906642 0.93 PTPN11 (0.64) PTPN11S1PR3PLA2G2APTPN1PTPN6
SCHEMBL8167721 0.91 PTPN11 (0.61) PTPN11S1PR3PLA2G2APTPN1PTPN6
SCHEMBL18133789 0.90 PTPN11 (0.58) PTPN11S1PR3PLA2G2APTPN1PTPN6
SCHEMBL8840939 0.89 PTPN11 (0.54) PTPN11S1PR3PLA2G2APTPN1PTPN6
Hydrochloric Acid SCHEMBL8154036 0.89 PTPN11 (0.60) PTPN11S1PR3PLA2G2APTPN1PTPN6

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 9 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
US-20160298029-A1 COMPOSITE NANOPARTICLES INCLUDING A PHTHALIC ACID DERIVATIVE 3M INNOVATIVE PROPERTIES COMPANY 2016-10-13 US disclosed
US-20160298029-A1 COMPOSITE NANOPARTICLES INCLUDING A PHTHALIC ACID DERIVATIVE 3M INNOVATIVE PROPERTIES COMPANY 2016-10-13 US disclosed
CN-105829494-A Composite nanoparticles comprising phthalic acid derivatives 3M创新有限公司 2016-08-03 CN disclosed
WO-2015094646-A1 COMPOSITE NANOPARTICLES INCLUDING A PHTHALIC ACID DERIVATIVE 3M INNOVATIVE PROPERTIES COMPANY (US) 2015-06-25 WO disclosed
WO-2015094646-A1 COMPOSITE NANOPARTICLES INCLUDING A PHTHALIC ACID DERIVATIVE 3M INNOVATIVE PROPERTIES COMPANY (US) 2015-06-25 WO disclosed