SCHEMBL6651804

SCHEMBL6651804

CCCc1cc2cc(C(=O)O)ccc2c(CCC)c1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.44
PTPN11 Q06124 2/20 0.44
LDHA P00338 3/20 0.44
LDHB P07195 3/20 0.44
KDM4E B2RXH2 2/20 0.43
PPARG P37231 1/20 0.43
PSMD14 O00487 1/20 0.43
RECQL P46063 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ACE2 Q9BYF1 3/20 0.39
RXRA P19793 2/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
KMT2A Q03164 2/20 0.37
HSP90AA1 P07900 1/20 0.37
MEN1 O00255 1/20 0.37
HIPK2 Q9H2X6 1/20 0.37
TEAD1 P28347 1/20 0.37
TEAD4 Q15561 1/20 0.37

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
SCHEMBL6651854 0.89 RARB (0.42) LDHALDHBKDM4EPPARGPSMD14
SCHEMBL28496833 0.87 RARB (0.49) PPARGKMT2AMEN1
SCHEMBL18543774 0.87 RARB (0.49) PPARGKMT2AMEN1
SCHEMBL1336380 0.85 PTPN1 (0.41) PTPN1KDM4EACE2NPC1
SCHEMBL5171604 0.84 RAB9A (0.43) PTPN1KDM4EACE2RXRANPC1
SCHEMBL28051549 0.77 RAB9A (0.45) PTPN1KDM4ETDP1ACE2RXRA
SCHEMBL7764831 0.76 HIPK2 (0.41) PTPN1KDM4EACE2KMT2AMEN1
SCHEMBL8493090 0.75 PTPN1 (0.40) PTPN1KDM4ERECQLACE2NPC1
SCHEMBL30900809 0.74 PTPN1 (0.39) PTPN1KDM4EACE2RXRANPC1
SCHEMBL7761408 0.74 PTPN1 (0.39) PTPN1KDM4EACE2RXRANPC1

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-117402332-A Modified heat-resistant PET copolyester with high impact strength and high transparency and preparation method thereof 中国科学院化学研究所 2024-01-16 CN claimed
EP-1424414-A1 Manufacturing method of polyester fiber having improved light fastness NAN YA PLASTICS CORPORATION (TW) 2004-06-02 EP disclosed
US-6620362-B1 Copolymerizing diol and naphthalenedicarboxylic acid NAN YA PLASTICS CORPORATION (TW) 2003-09-16 US disclosed
US-6350895-B1 REACTION OF DIALKYL ESTER WITH 1,3-PROPANEDIOL E. I. DU PONT DE NEMOURS AND COMPANY 2002-02-26 US disclosed