SCHEMBL17532633

SCHEMBL17532633

C=C(C)C(=O)OCCCCOC(=O)c1ccccc1-c1c2ccc(=[N+](CC)CC)cc-2oc2cc(N(CC)CC)ccc12

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.51
▸ USP2 O75604 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ PPARG P37231 1/20 0.51
▸ BLM P54132 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ RXFP1 Q9HBX9 1/20 0.51
▸ NCOR2 Q9Y618 1/20 0.51
▸ FPR2 P25090 4/20 0.48
▸ TGM2 P21980 1/20 0.48
▸ CHRM1 P11229 2/20 0.42
▸ TLR7 Q9NYK1 1/20 0.41
▸ NPY4R P50391 3/20 0.40
▸ AVPR2 P30518 3/20 0.40
▸ ABCB1 P08183 1/20 0.39
▸ SLC6A2 P23975 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38
▸ SLC6A3 Q01959 1/20 0.38

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
SCHEMBL17693122 0.99 MEN1 (0.50) MEN1USP2POLBPPARGBLM
SCHEMBL13609836 0.97 USP2 (0.52) MEN1USP2POLBPPARGBLM
Hydrochloric Acid SCHEMBL29557664 0.92 USP2 (0.53) MEN1USP2POLBPPARGBLM
Hydrochloric Acid SCHEMBL29539118 0.92 USP2 (0.54) MEN1USP2POLBPPARGBLM
SCHEMBL19655012 0.91 USP2 (0.45) MEN1USP2POLBPPARGBLM
SCHEMBL18350813 0.91 USP2 (0.53) MEN1USP2POLBPPARGBLM
SCHEMBL14667860 0.91 USP2 (0.53) MEN1USP2POLBPPARGBLM
SCHEMBL13428258 0.91 USP2 (0.53) MEN1USP2POLBPPARGBLM
SCHEMBL22292200 0.91 USP2 (0.55) MEN1USP2POLBPPARGBLM
SCHEMBL17693120 0.90 USP2 (0.53) MEN1USP2POLBPPARGBLM

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-20160040013-A1 COLORED COMPOSITION WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2016-02-11 — — US disclosed
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