SCHEMBL518129

SCHEMBL518129

CC1CCCC(N(C(=O)c2c(C(=O)O)ccc3cc(C(=O)O)ccc23)C2CCCC(C)C2C)C1C

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.39
ACE2 Q9BYF1 2/20 0.34
SLC6A4 P31645 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
S1PR3 Q99500 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NCEH1 Q6PIU2 3/20 0.32
SLC6A2 P23975 2/20 0.31
SLC6A3 Q01959 2/20 0.31
PRKCH P24723 1/20 0.31
PRKCD Q05655 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
TAS1R2 Q8TE23 1/20 0.31

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
SCHEMBL517319 0.91 PTPN1 (0.41) PTPN1ACE2S1PR3KDM4ENCEH1
SCHEMBL518026 0.83 PTPN1 (0.44) PTPN1ACE2SLC6A4S1PR3KDM4E
SCHEMBL517005 0.82 PTPN1 (0.43) PTPN1SLC6A4S1PR3KDM4ESLC6A2
SCHEMBL517345 0.82 PTPN1 (0.43) PTPN1SLC6A4S1PR3KDM4ESLC6A2
SCHEMBL517710 0.82 PTPN1 (0.43) PTPN1SLC6A4S1PR3KDM4ESLC6A2
SCHEMBL516791 0.82 PTPN1 (0.39) PTPN1ACE2SLC6A4KDM4ENCEH1
SCHEMBL517351 0.81 PTPN1 (0.42) PTPN1ACE2SLC6A4NPC1RAB9A
SCHEMBL1071845 0.78 SLC6A4 (0.49) PTPN1SLC6A4NPC1RAB9AS1PR3
SCHEMBL517342 0.74 LMNA (0.44) SLC6A4S1PR3KDM4ESLC6A2SLC6A3
SCHEMBL812629 0.72 PTPN1 (0.61) PTPN1ACE2KDM4E

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