SCHEMBL9351972

SCHEMBL9351972

O=C(O)CCc1cc2cc3c4c(c2oc1=O)CCCN4CCC3

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC16A3 O15427 1/20 0.68
▸ MEN1 O00255 9/20 0.54
▸ KMT2A Q03164 9/20 0.54
▸ ALDH1A1 P00352 8/20 0.54
▸ USP2 O75604 7/20 0.54
▸ MAPT P10636 7/20 0.54
▸ GAA P10253 6/20 0.54
▸ LMNA P02545 6/20 0.54
▸ KDM4E B2RXH2 6/20 0.54
▸ TDP1 Q9NUW8 4/20 0.54
▸ RECQL P46063 3/20 0.54
▸ TLR9 Q9NR96 1/20 0.54
▸ CASP1 P29466 5/20 0.49
▸ CASP7 P55210 5/20 0.49
▸ ALOX15 P16050 4/20 0.49
▸ HSD17B10 Q99714 4/20 0.49
▸ SMN1; SMN2 Q16637 4/20 0.49
▸ HTT P42858 3/20 0.49
▸ L3MBTL1 Q9Y468 3/20 0.49
▸ BRCA1 P38398 2/20 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
SCHEMBL17183402 0.87 SLC16A3 (0.65) SLC16A3MEN1KMT2AALDH1A1USP2
SCHEMBL14311186 0.85 SLC16A3 (0.62) SLC16A3MEN1KMT2AALDH1A1USP2
SCHEMBL14325926 0.85 SLC16A3 (0.62) SLC16A3MEN1KMT2AALDH1A1USP2
SCHEMBL13486921 0.85 SLC16A3 (0.68) SLC16A3MEN1KMT2AALDH1A1USP2
SCHEMBL13066982 0.83 SLC16A3 (0.70) SLC16A3MEN1KMT2AALDH1A1USP2
SCHEMBL29364862 0.81 SLC16A3 (1.00) SLC16A3MEN1KMT2AALDH1A1USP2
SCHEMBL45609 0.81 SLC16A3 (1.00) SLC16A3MEN1KMT2AALDH1A1USP2
SCHEMBL13238317 0.81 SLC16A3 (0.69) SLC16A3MEN1KMT2AALDH1A1USP2
SCHEMBL12511762 0.80 SLC16A3 (0.83) SLC16A3MEN1KMT2AALDH1A1USP2
SCHEMBL23872036 0.79 SLC16A3 (0.67) SLC16A3MEN1KMT2AALDH1A1USP2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0431452-B1 Method for the optical distinction of dental materials and material used in this method IVOCLAR AG (LI) 1994-10-05 — — EP claimed
US-5102461-A PROCESS FOR THE OPTICAL DISTINCTION OF A DENTAL MATERIAL AND DENTAL MATERIAL FOR SAID PROCESS IVOCLAR AG (DE) 1992-04-07 — — US claimed
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