SCHEMBL16487744

SCHEMBL16487744

CCCCCCCCc1cc(B2OC(C)(C)C(C)(C)O2)sc1I

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LPL P06858 6/20 0.47
▸ LIPG Q9Y5X9 6/20 0.47
▸ TDP1 Q9NUW8 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ ALOX5 P09917 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ TYR P14679 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ACE2 Q9BYF1 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ GPR35 Q9HC97 1/20 0.31
▸ OPRM1 P35372 2/20 0.30

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
SCHEMBL1829065 0.83 LPL (0.47) LPLLIPGTDP1MEN1TP53
SCHEMBL12338988 0.82 LPL (0.46) LPLLIPGTDP1MEN1TP53
SCHEMBL6157227 0.82 LPL (0.46) LPLLIPGTDP1MEN1TP53
SCHEMBL19809500 0.80 LPL (0.47) LPLLIPGTDP1MEN1TP53
SCHEMBL15978009 0.77 LPL (0.41) LPLLIPG
SCHEMBL12715489 0.75 LPL (0.45) LPLLIPGGPR35
SCHEMBL11924899 0.75 LPL (0.47) LPLLIPGGPR35
SCHEMBL16919575 0.75 LPL (0.47) LPLLIPGGPR35
SCHEMBL9885169 0.74 LPL (0.39) LPLLIPG
SCHEMBL12339001 0.74 LPL (0.41) LPLLIPGTDP1MEN1TP53

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-8957181-B2 Preparation process for cyclic conjugated polymer and polymerization catalyst for cyclic conjugated polymer SOKEN CHEMICAL & ENGINEERING CO., LTD. (JP) 2015-02-17 — — US disclosed
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