SCHEMBL517319

SCHEMBL517319

CC1CCCCC1N(C(=O)c1c(C(=O)O)ccc2cc(C(=O)O)ccc12)C1CCCCC1C

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.41
S1PR3 Q99500 5/20 0.40
NCEH1 Q6PIU2 3/20 0.37
S1PR1 P21453 3/20 0.35
ACE2 Q9BYF1 2/20 0.35
KDM4E B2RXH2 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TAS1R3 Q7RTX0 2/20 0.32
TAS1R2 Q8TE23 2/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
CSNK2A2 P19784 1/20 0.32
CSNK2B P67870 1/20 0.32
CSNK2A1 P68400 1/20 0.32

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
SCHEMBL518129 0.91 PTPN1 (0.39) PTPN1S1PR3NCEH1ACE2KDM4E
SCHEMBL518026 0.85 PTPN1 (0.44) PTPN1S1PR3NCEH1S1PR1ACE2
SCHEMBL517345 0.84 PTPN1 (0.43) PTPN1S1PR3S1PR1KDM4E
SCHEMBL517710 0.84 PTPN1 (0.43) PTPN1S1PR3S1PR1KDM4E
SCHEMBL517005 0.84 PTPN1 (0.43) PTPN1S1PR3S1PR1KDM4E
SCHEMBL517351 0.82 PTPN1 (0.42) PTPN1NCEH1ACE2KDM4E
SCHEMBL516791 0.82 PTPN1 (0.39) PTPN1NCEH1ACE2KDM4E
SCHEMBL1071845 0.80 SLC6A4 (0.49) PTPN1S1PR3S1PR1KDM4E
SCHEMBL517342 0.76 LMNA (0.44) S1PR3S1PR1KDM4E
SCHEMBL27832744 0.76 PTPN1 (0.48) PTPN1NCEH1S1PR1ACE2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2392458-B1 POLYPROPYLENE RESIN MOLDED ARTICLE NEW JAPAN CHEM CO LTD (JP) 2018-03-14 EP disclosed
US-20120028006-A1 POLYPROPYLENE RESIN MOLDED ARTICLE NEW JAPAN CHEMICAL CO., LTD. (JP) 2012-02-02 US disclosed
EP-2392458-A2 POLYPROPYLENE RESIN MOLDED ARTICLE New Japan Chemical Co., Ltd. (JP) 2011-12-07 EP disclosed