SCHEMBL10002270

SCHEMBL10002270

CNc1cc(C(=O)NCCCOCCOCCOCCCNC(=O)CCCCC2SCC3NC(=O)NC32)cc(C(=O)NCCCOCCOCCOCCCNC(=O)CCCCC2SCC3NC(=O)NC32)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.58
▸ PRSS1 P07477 1/20 0.58
▸ PRSS2 P07478 1/20 0.58
▸ PRSS3 P35030 1/20 0.58
▸ TPSAB1 Q15661 1/20 0.58
▸ PKM P14618 2/20 0.56
▸ L3MBTL3 Q96JM7 1/20 0.55
▸ TDP1 Q9NUW8 2/20 0.54
▸ FOLH1 Q04609 3/20 0.53
▸ NSD2 O96028 1/20 0.51
▸ NSD3 Q9BZ95 1/20 0.51
▸ PLCD1 P51178 1/20 0.51
▸ HPSE Q9Y251 1/20 0.51
▸ EGFR P00533 1/20 0.50
▸ ITK Q08881 1/20 0.50
▸ CA12 O43570 1/20 0.50
▸ CA1 P00915 1/20 0.50
▸ CA2 P00918 1/20 0.50
▸ CA9 Q16790 1/20 0.50
▸ LY6K Q17RY6 1/20 0.49

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
SCHEMBL18759856 0.92 PKM (0.57) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL10036981 0.92 F2 (0.62) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL10002272 0.90 PKM (0.55) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL18759554 0.90 F2 (0.62) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL10002255 0.90 F2 (0.59) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL18759549 0.90 TDP1 (0.57) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL18759543 0.88 TDP1 (0.58) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL18759669 0.88 PKM (0.54) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL1922409 0.88 F2 (0.56) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL18760075 0.88 PRSS1 (0.55) F2PRSS1PRSS2PRSS3TPSAB1

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-8124364-B2 Biotin derivatives GLYCOREX TRANSPLANTATION AB (SE) 2012-02-28 — — US disclosed
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