SCHEMBL7765600

SCHEMBL7765600

C=CCc1c(C(=O)O)ccc2cc(C(=O)O)ccc12

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.50
ACE2 Q9BYF1 2/20 0.39
PDE4B Q07343 6/20 0.37
PDE4D Q08499 6/20 0.37
KDM4E B2RXH2 4/20 0.37
RXRA P19793 2/20 0.37
GRIN2D O15399 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2C Q14957 1/20 0.37
POLB P06746 1/20 0.37
GPR35 Q9HC97 1/20 0.37
MAPK1 P28482 1/20 0.37
ALDH1A1 P00352 1/20 0.37
NR4A2 P43354 1/20 0.37
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ERN1 O75460 1/20 0.36

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
SCHEMBL5843935 0.85 CA12 (0.42) PTPN1KDM4EPOLBGPR35ALDH1A1
SCHEMBL4319334 0.80 WDR5 (0.54) KDM4EPOLBGPR35ALDH1A1NR4A2
SCHEMBL4078780 0.79 PTPN1 (0.53) PTPN1ACE2KDM4EGRIN2DGRIN2A
SCHEMBL30900809 0.78 PTPN1 (0.39) PTPN1ACE2PDE4BPDE4DKDM4E
SCHEMBL7761408 0.78 PTPN1 (0.39) PTPN1ACE2PDE4BPDE4DKDM4E
SCHEMBL278481 0.77 KDM4E (0.46) PTPN1ACE2KDM4EPOLBALDH1A1
SCHEMBL27457193 0.77 PTPN1 (0.54) PTPN1ACE2KDM4EGRIN2DGRIN2A
SCHEMBL996835 0.77 CYP1A2 (0.44) PDE4BPDE4DKDM4ERXRAMAPK1
SCHEMBL28228025 0.76 PTPN1 (0.57) PTPN1KDM4EPOLBALDH1A1HSD17B10
SCHEMBL8380501 0.74 PTPN1 (0.59) PTPN1ACE2KDM4EGRIN2DGRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5728870-A HYDROLYZING A DIALKYL-2,6-NAPHTHALENEDICARBOXYLATE WITH WATER AND RECOVERING 2,6-NAPHTHALENEDICARBOXYLIC ACID AMOCO CORPORATION (US) 1998-03-17 US claimed
EP-0572628-B2 PROCESS FOR PREPARING PURIFIED 2,6-NAPHTHALENEDICARBOXYLIC ACID AMOCO CORP (US) 2001-06-13 EP disclosed
US-5728870-A HYDROLYZING A DIALKYL-2,6-NAPHTHALENEDICARBOXYLATE WITH WATER AND RECOVERING 2,6-NAPHTHALENEDICARBOXYLIC ACID AMOCO CORPORATION (US) 1998-03-17 US disclosed
US-5629446-A HYDROLYSISS OF DIALKYL CARBOXYLATE ABOVE A SPECIFIED TEMPERATURE UNDER LIQUID PHASE CONDITIONS, RECOVERING PURE ACID AMOCO CORPORATION (US) 1997-05-13 US disclosed
EP-0572628-B1 PROCESS FOR PREPARING PURIFIED 2,6-NAPHTHALENEDICARBOXYLIC ACID AMOCO CORP (US) 1996-10-30 EP disclosed
US-5563294-A HIGH TEMPERATURE NONCATALYTIC HYDROLYSIS OF DIALKYL-2,6-NAPHTHALENEDICARBOXYLATE IN WATER AMOCO CORPORATION (US) 1996-10-08 US disclosed
EP-0572628-A1 PROCESS FOR PREPARING PURIFIED 2,6-NAPHTHALENEDICARBOXYLIC ACID. AMOCO CORP (US) 1993-12-08 EP disclosed
WO-1993012065-A1 PROCESS FOR PREPARING PURIFIED 2,6-NAPHTHALENEDICARBOXYLIC ACID AMOCO CORPORATION (US) 1993-06-24 WO disclosed