SCHEMBL18357518

SCHEMBL18357518

Cc1cc(N(CCOCCOCCOS(=O)(=O)O)CCOCCOS(=O)(=O)O)ccc1I

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.31
▸ CA2 P00918 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ HTT P42858 2/20 0.30
▸ LMNA P02545 1/20 0.30
▸ MAPT P10636 1/20 0.30

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
SCHEMBL19941543 0.80 LMNA (0.38) KDM4EALDH1A1HTTLMNAMAPT
SCHEMBL18357527 0.76 KDM4E (0.33) CA1CA2KDM4EALDH1A1HTT
SCHEMBL18357956 0.76 — —
SCHEMBL17868871 0.71 S100B (0.59) ALDH1A1TDP1HTTLMNAMAPT
SCHEMBL14129693 0.71 KDM4E (0.33) KDM4EALDH1A1LMNA
SCHEMBL9873109 0.71 RECQL (0.41) ALDH1A1HTTLMNAMAPT
SCHEMBL25081943 0.69 CYP1A2 (0.40) ALDH1A1MAPT
SCHEMBL25081940 0.69 CYP1A2 (0.40) ALDH1A1MAPT
SCHEMBL18357876 0.68 TSHR (0.44) KDM4EALDH1A1HTTLMNAMAPT
SCHEMBL20906695 0.67 S100B (0.53) KDM4EALDH1A1TDP1HTTLMNA

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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