SCHEMBL18357515

SCHEMBL18357515

CCCOCCOCCOCCOCCN(CC)CCCS(=O)(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.35
▸ BLM P54132 1/20 0.34
▸ PMP22 Q01453 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CHRM2 P08172 2/20 0.31
▸ CHRM1 P11229 2/20 0.31
▸ SLC22A1 O15245 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ PRCP P42785 1/20 0.31
▸ HTT P42858 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
SCHEMBL18357520 0.88 KDM4E (0.35) KDM4ENPSR1BLMPMP22HSD17B10
SCHEMBL16316706 0.86 EPHX2 (0.36) MEN1KMT2ATHRBHTT
SCHEMBL16316736 0.86 EPHX2 (0.36) MEN1KMT2ATHRBHTT
SCHEMBL16316737 0.83 EPHX2 (0.39) MEN1KMT2ATHRBHTT
SCHEMBL17833359 0.81 NPSR1 (0.42) NPSR1BLMCHRM2CHRM1LMNA
SCHEMBL15290804 0.81 THRB (0.48) KDM4EBLMPMP22HSD17B10POLB
SCHEMBL2185541 0.80 NPSR1 (0.44) NPSR1BLMCHRM2CHRM1ALDH1A1
SCHEMBL16790489 0.80 LTA4H (0.39) ALDH1A1LMNAAPP
SCHEMBL918207 0.78 NPSR1 (0.50) NPSR1BLMALDH1A1LMNASIGMAR1
SCHEMBL22416456 0.77 HTR1B (0.42) KDM4EMEN1POLBKMT2ATSHR

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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