SCHEMBL22666149

SCHEMBL22666149

CCN(CCCC(=O)OCOC(C)=O)C(=O)/C(=C/c1cc2cc3c4c(c2oc1=O)CCCN4CCC3)CSC#N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC16A3 O15427 1/20 0.43
▸ USP2 O75604 4/20 0.35
▸ CASP1 P29466 3/20 0.35
▸ CASP7 P55210 3/20 0.35
▸ ALOX15 P16050 2/20 0.35
▸ BRCA1 P38398 2/20 0.33
▸ HBB P68871 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ RXRA P19793 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ TLR9 Q9NR96 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ NPC1 O15118 1/20 0.33

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
SCHEMBL22666370 0.83 SLC16A3 (0.47) SLC16A3USP2CASP1CASP7ALOX15
SCHEMBL19506949 0.73 SLC16A3 (0.52) SLC16A3USP2CASP1CASP7ALOX15
SCHEMBL29906670 0.73 SLC16A3 (0.55) SLC16A3USP2CASP1CASP7ALOX15
SCHEMBL22651590 0.67 SLC16A3 (0.56) SLC16A3USP2CASP1CASP7ALOX15
SCHEMBL19519724 0.66 SLC16A3 (0.41) SLC16A3USP2CASP1CASP7ALOX15
SCHEMBL19519722 0.66 SLC16A3 (0.56) SLC16A3USP2CASP1CASP7ALOX15
SCHEMBL29370055 0.66 SLC16A3 (0.70) SLC16A3USP2CASP1CASP7ALOX15
SCHEMBL194640 0.66 SLC16A3 (0.70) SLC16A3USP2CASP1CASP7ALOX15
SCHEMBL29413851 0.65 SLC16A3 (0.80) SLC16A3USP2CASP1CASP7ALOX15
SCHEMBL45609 0.64 SLC16A3 (1.00) SLC16A3USP2CASP1CASP7ALOX15

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-20200363422-A1 Method for Measuring Quality of Therapeutic Cell Through Real-Time Glutathione Measurement CELL2IN, INC. (KR) 2020-11-19 — — US disclosed
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