SCHEMBL7530826

SCHEMBL7530826

CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)CC(=O)CC(=O)N(C1CCCCC1)C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 1/20 0.42
▸ THRA P10827 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ NAAA Q02083 2/20 0.40
▸ BCHE P06276 2/20 0.39
▸ EPHX1 P07099 8/20 0.38
▸ EPHX2 P34913 2/20 0.38
▸ ADH1C P00326 1/20 0.36
▸ ADH1A P07327 1/20 0.36
▸ ADH4 P08319 1/20 0.36

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
SCHEMBL599431 0.82 CNR2 (0.41) CNR2THRATHRBNAAAEPHX1
SCHEMBL11049944 0.77 NAAA (0.51) THRATHRBNAAAEPHX1EPHX2
SCHEMBL9308073 0.77 NAAA (0.51) THRATHRBNAAAEPHX1EPHX2
SCHEMBL6436493 0.77 NAAA (0.51) THRATHRBNAAAEPHX1EPHX2
SCHEMBL11776598 0.77 NAAA (0.51) THRATHRBNAAAEPHX1EPHX2
SCHEMBL9308084 0.77 NAAA (0.51) THRATHRBNAAAEPHX1EPHX2
SCHEMBL4927014 0.77 NAAA (0.51) THRATHRBNAAAEPHX1EPHX2
SCHEMBL22023395 0.75 NAAA (0.46) THRATHRBNAAAEPHX1EPHX2
SCHEMBL23748010 0.74 CA12 (0.50) EPHX1
SCHEMBL944778 0.74 CA12 (0.50) EPHX1

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-0792454-B1 RANDOMLY SEGMENTED THERMOPLASTIC POLYURETHANES AS MATRIX FOR ELECTROCHEMICAL ANALYSIS OF Ca++ IONS BAYER AG (US) 2002-04-10 — — EP claimed
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