SCHEMBL8971820

SCHEMBL8971820

CCN(CC)c1nc(NCCCCCC(=O)O)nc(NCCCCCC(=O)O)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 1/20 0.42
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
ADRA1A P35348 1/20 0.40
PRMT1 Q99873 1/20 0.39
TP53 P04637 1/20 0.38
GPR84 Q9NQS5 7/20 0.38
PPARG P37231 7/20 0.38
PPARD Q03181 7/20 0.38
PPARA Q07869 7/20 0.38
HDAC11 Q96DB2 5/20 0.38
TSHR P16473 4/20 0.38
PTPN1 P18031 3/20 0.38
ALDH1A1 P00352 2/20 0.38
TLR2 O60603 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
FABP4 P15090 2/20 0.38
SLC22A6 Q4U2R8 1/20 0.38

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
SCHEMBL3144833 0.88 KDM4E (0.54) KMT2AKDM4ECA1CA2CA9
SCHEMBL3135531 0.84 PRMT1 (0.52) KMT2AKDM4ECA1CA2ADRA1A
SCHEMBL8501601 0.84 PRMT1 (0.52) KMT2AKDM4ECA1CA2ADRA1A
SCHEMBL284282 0.84 PRMT1 (0.52) KMT2AKDM4ECA1CA2ADRA1A
SCHEMBL3138830 0.83 GPR84 (0.59) KMT2AGPR84PPARGPPARDPPARA
SCHEMBL8972565 0.83 KMT2A (0.47) KMT2AKDM4EADRA1APRMT1GPR84
SCHEMBL4601756 0.82 PAOX (0.51) KMT2AKDM4EADRA1APRMT1GPR84
SCHEMBL3144685 0.82 KMT2A (0.42) KMT2AKDM4ECA1CA2ADRA1A
SCHEMBL4603234 0.82 PAOX (0.51) KMT2AKDM4EADRA1APRMT1GPR84
SCHEMBL16331021 0.82 PRMT1 (0.50) KMT2AKDM4ECA1CA2ADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5549847-A STIRRING A FILTER CAKE OF CORROSION INHIBITOR WITH DISPERSANT AND THICKENER; STORAGE STABILITY CIBA-GEIGY CORPORATION (US) 1996-08-27 US disclosed
EP-0511163-B1 Pourable aqueous dispersions of polycarboxylic acid corrosion inhibitors CIBA GEIGY AG (CH) 1995-07-26 EP disclosed
EP-0511163-A1 Pourable aqueous dispersions of polycarboxylic acid corrosion inhibitors CIBA-GEIGY AG (CH) 1992-10-28 EP disclosed
EP-0046139-B1 USE OF TRIAZINE-CARBOXYLIC ACIDS AS CORROSION INHIBITORS FOR AQUEOUS SYSTEMS CIBA-GEIGY AG (CH) 1984-07-18 EP disclosed
US-4402907-A Triazine carboxylic acids as corrosion inhibitors for aqueous systems CIBA-GEIGY CORPORATION (US) 1983-09-06 US disclosed
EP-0046139-A1 Use of triazine-carboxylic acids as corrosion inhibitors for aqueous systems CIBA-GEIGY AG (CH) 1982-02-17 EP disclosed