SCHEMBL18357955

SCHEMBL18357955

CCN(CCOCCOCCOCCOCCNCCC(=O)O)c1ccc(N)c(C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S100B P04271 1/20 0.48
▸ KDM4E B2RXH2 5/20 0.36
▸ TDP1 Q9NUW8 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ GRK2 P25098 1/20 0.35
▸ DNMT1 P26358 1/20 0.35
▸ CTDSP1 Q9GZU7 1/20 0.35
▸ MAPT P10636 6/20 0.34
▸ LMNA P02545 4/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ HTT P42858 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ CASP7 P55210 1/20 0.34

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
SCHEMBL8745528 0.83 S100B (0.66) S100BKDM4EPOLBGRK2DNMT1
SCHEMBL13446105 0.79 S100B (0.60) S100BTDP1POLBMAPTLMNA
SCHEMBL11650522 0.79 S100B (0.64) S100BTDP1MAPTLMNAALDH1A1
SCHEMBL9192716 0.79 S100B (0.64) S100BTDP1MAPTLMNAALDH1A1
SCHEMBL6470613 0.78 S100B (0.62) S100BTDP1MAPTLMNAALDH1A1
SCHEMBL6470585 0.78 S100B (0.62) S100BTDP1MAPTLMNAALDH1A1
SCHEMBL9659187 0.78 S100B (0.62) S100BTDP1MAPTLMNAALDH1A1
SCHEMBL11384718 0.78 S100B (0.62) S100BTDP1MAPTLMNAALDH1A1
SCHEMBL14234473 0.78 S100B (0.62) S100BTDP1POLBMAPTLMNA
SCHEMBL11649890 0.78 S100B (0.62) S100BTDP1MAPTLMNAALDH1A1

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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