SCHEMBL17649934

SCHEMBL17649934

C=CCc1cc(CN2CC(C)OC(C)C2)c(O)c(OC)c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.51
TDP1 Q9NUW8 3/20 0.51
TNKS O95271 1/20 0.47
TNKS2 Q9H2K2 1/20 0.47
ALDH1A1 P00352 4/20 0.43
CYP3A4 P08684 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALOX5 P09917 1/20 0.42
AR P10275 1/20 0.42
PTGS1 P23219 1/20 0.42
TRPM8 Q7Z2W7 1/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
CCR3 P51677 1/20 0.41
GAA P10253 4/20 0.39
RAB9A P51151 1/20 0.39
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39

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
SCHEMBL9733717 0.80 GAA (0.50) KDM4ETNKSTNKS2ALDH1A1CYP3A4
SCHEMBL6554990 0.77 TNKS (0.65) TNKSTNKS2ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL31255953 0.75 TNKS (0.63) KDM4ETNKSTNKS2ALDH1A1CYP3A4
SCHEMBL13899835 0.75 TNKS (0.63) KDM4ETNKSTNKS2ALDH1A1CYP3A4
SCHEMBL29581189 0.74 TNKS (0.52) KDM4ETNKSTNKS2ALDH1A1CYP3A4
SCHEMBL1005864 0.74 TNKS (0.61) KDM4ETNKSTNKS2ALDH1A1CYP3A4
Methoxyeugenol SCHEMBL293977 0.73 TNKS (0.73) KDM4ETDP1TNKSTNKS2ALDH1A1
SCHEMBL31510191 0.72 TNKS2 (0.58) KDM4ETNKSTNKS2ALDH1A1CYP3A4
SCHEMBL9733617 0.71 ALDH1A1 (0.49) KDM4ETDP1TNKSTNKS2ALDH1A1
SCHEMBL29554374 0.71 TNKS (0.61) KDM4ETNKSTNKS2ALDH1A1CYP3A4

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
CN-107001744-B Low molecular weight graft polymers for scale inhibitors 赫尔克里士有限公司 2023-06-16 CN disclosed
EP-3204453-B1 LOW MOLECULAR WEIGHT GRAFT POLYMER FOR SCALE INHIBITOR HERCULES LLC (US) 2019-08-28 EP disclosed
US-9914790-B2 Low molecular weight graft polymer for scale inhibitor HERCULES LLC (US) 2018-03-13 US disclosed
EP-3204453-A1 LOW MOLECULAR WEIGHT GRAFT POLYMER FOR SCALE INHIBITOR Hercules LLC (US) 2017-08-16 EP disclosed
WO-2016057299-A1 LOW MOLECULAR WEIGHT GRAFT POLYMER FOR SCALE INHIBITOR HERCULES INCORPORATED (US) 2016-04-14 WO disclosed
US-20160096908-A1 LOW MOLECULAR WEIGHT GRAFT POLYMER FOR SCALE INHIBITOR ISP INVESTMENTS LLC 2016-04-07 US disclosed