SCHEMBL8830489

SCHEMBL8830489

O=C(O)CCCCCNc1nc(NCCO)nc(NCCCCCC(=O)O)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.53
KCNH3 Q9ULD8 3/20 0.47
GPR84 Q9NQS5 1/20 0.47
FFAR1 O14842 1/20 0.47
FFAR4 Q5NUL3 1/20 0.47
PRMT1 Q99873 1/20 0.46
RECQL P46063 1/20 0.45
MCL1 Q07820 1/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
PMP22 Q01453 1/20 0.43
ADRA1A P35348 1/20 0.43
SLC29A1 Q99808 1/20 0.42
MAPK1 P28482 2/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41

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
SCHEMBL8830408 1.00 KMT2A (0.53) KMT2AKCNH3GPR84FFAR1FFAR4
SCHEMBL3135531 0.93 PRMT1 (0.52) KMT2AKCNH3GPR84FFAR1FFAR4
SCHEMBL8501601 0.93 PRMT1 (0.52) KMT2AKCNH3GPR84FFAR1FFAR4
SCHEMBL284282 0.93 PRMT1 (0.52) KMT2AKCNH3GPR84FFAR1FFAR4
SCHEMBL8972356 0.91 PRMT1 (0.50) KMT2AKCNH3GPR84PRMT1KDM4E
SCHEMBL16331021 0.91 PRMT1 (0.50) KMT2AKCNH3GPR84FFAR1FFAR4
SCHEMBL3148784 0.91 KMT2A (0.52) KMT2AKCNH3PRMT1KDM4ELMNA
SCHEMBL3132786 0.89 KMT2A (0.56) KMT2AKCNH3PRMT1KDM4ELMNA
SCHEMBL3140673 0.89 KMT2A (0.56) KMT2AKCNH3PRMT1KDM4ELMNA
Carbamic Acid SCHEMBL16612714 0.87 PRMT1 (0.47) KMT2AKCNH3PRMT1RECQLKDM4E

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
WO-1997026294-A1 HIGHLY BRANCHED POLYMERS DSM N.V. (NL) 1997-07-24 WO disclosed
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
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