SCHEMBL18357527

SCHEMBL18357527

CCN(CCCS(=O)(=O)O)CCOCCOCCOCCOCCN(CC)c1ccc(I)c(C)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ GRK2 P25098 1/20 0.33
▸ DNMT1 P26358 1/20 0.33
▸ CTDSP1 Q9GZU7 1/20 0.33
▸ MAPT P10636 4/20 0.32
▸ LMNA P02545 3/20 0.32
▸ HTT P42858 2/20 0.32
▸ S1PR1 P21453 1/20 0.32
▸ S100B P04271 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ MAPK1 P28482 2/20 0.31
▸ GFER P55789 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ HSD17B10 Q99714 2/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL18357956 0.76 — —
SCHEMBL18357518 0.76 CA1 (0.31) KDM4EMAPTLMNAHTTALDH1A1
SCHEMBL12937454 0.75 S1PR1 (0.34) POLBGRK2DNMT1CTDSP1MAPT
SCHEMBL15891866 0.74 KDR (0.34) —
SCHEMBL18358037 0.74 — —
SCHEMBL18357520 0.74 KDM4E (0.35) KDM4EPOLBNPSR1HSD17B10
SCHEMBL18357909 0.73 MTNR1A (0.35) KDM4ELMNASMN1; SMN2
SCHEMBL18357515 0.73 KDM4E (0.36) KDM4EPOLBLMNAHTTALDH1A1
SCHEMBL16731749 0.73 — —
SCHEMBL18357876 0.72 TSHR (0.44) KDM4EMAPTLMNAHTTS1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2638113-B1 THIOPHENE AZO DYES AND LAUNDRY CARE COMPOSITIONS CONTAINING THE SAME MILLIKEN & CO (US) 2017-01-04 — — EP disclosed
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