SCHEMBL18357520

SCHEMBL18357520

CCN(CCCS(=O)(=O)O)CCOCCOCCOCCOCCI

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ PMP22 Q01453 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ MEN1 O00255 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ KMT2A Q03164 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
SCHEMBL18357515 0.88 KDM4E (0.36) KDM4ENPSR1BLMPMP22HSD17B10
SCHEMBL15290804 0.78 THRB (0.48) KDM4EBLMPMP22HSD17B10POLB
SCHEMBL2185541 0.78 NPSR1 (0.44) NPSR1BLM
SCHEMBL18357957 0.77 LTA4H (0.36) —
SCHEMBL918207 0.76 NPSR1 (0.50) NPSR1BLM
SCHEMBL17833359 0.75 NPSR1 (0.42) NPSR1BLM
Water SCHEMBL21295559 0.74 NPSR1 (0.48) NPSR1BLM
SCHEMBL16316706 0.74 EPHX2 (0.36) MEN1KMT2A
SCHEMBL16316736 0.74 EPHX2 (0.36) MEN1KMT2A
SCHEMBL18357527 0.74 KDM4E (0.33) KDM4ENPSR1HSD17B10POLB

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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