SCHEMBL9800725

SCHEMBL9800725

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nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 5/20 0.42
▸ CA2 P00918 1/20 0.36
▸ CA4 P22748 1/20 0.36
▸ GNPAT O15228 1/20 0.36
▸ TGFBR1 P36897 3/20 0.33
▸ EPHX2 P34913 2/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ GSTK1 Q9Y2Q3 1/20 0.33
▸ ITGB3 P05106 4/20 0.32
▸ ITGB1 P05556 4/20 0.32
▸ ITGAV P06756 4/20 0.32
▸ ITGA5 P08648 4/20 0.32
▸ MDM4 O15151 2/20 0.32
▸ MDM2 Q00987 3/20 0.32

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
SCHEMBL30106697 0.84 GNPAT (0.37) GNPATEPHX2ITGB3
SCHEMBL30526185 0.80 CA2 (0.40) MMECA2CA4GNPATPTGS1
SCHEMBL30099699 0.79 PTGS1 (0.40) MMECA2CA4GNPATPTGS1
SCHEMBL30177582 0.79 PTGS1 (0.40) MMECA2CA4GNPATPTGS1
SCHEMBL31479814 0.79 PTGS1 (0.40) MMECA2CA4GNPATPTGS1
SCHEMBL30099550 0.79 PTGS1 (0.40) MMECA2CA4GNPATPTGS1
SCHEMBL31544015 0.79 MME (0.39) MMECA2CA4GNPATTGFBR1
SCHEMBL31544053 0.79 MME (0.39) MMECA2CA4GNPATTGFBR1
SCHEMBL31544041 0.79 MME (0.39) MMECA2CA4GNPATTGFBR1
SCHEMBL31544028 0.79 MME (0.39) MMECA2CA4GNPATTGFBR1

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
US-5017690-A Deblocking N-formyl aspartame compounds W. R. GRACE & CO.-CONN. (US) 1991-05-21 — — US disclosed
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