SCHEMBL28237113

SCHEMBL28237113

COC(=O)CCC(C)C(=O)ON(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.43
▸ KMT2A Q03164 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KDM6B O15054 1/20 0.38
▸ KDM5C P41229 1/20 0.38
▸ EGLN1 Q9GZT9 1/20 0.38
▸ PHF8 Q9UPP1 1/20 0.38
▸ KDM2A Q9Y2K7 1/20 0.38
▸ SLC1A1 P43005 1/20 0.38
▸ CA12 O43570 3/20 0.34
▸ CA14 Q9ULX7 3/20 0.34
▸ CA7 P43166 2/20 0.34
▸ CA9 Q16790 2/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ LMNA P02545 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ CHRNB2 P17787 1/20 0.33
▸ CHRNA4 P43681 1/20 0.33
▸ HSD17B10 Q99714 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32

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
SCHEMBL265551 0.82 TSHR (0.52) TSHRKMT2AMEN1SLC1A1CA12
SCHEMBL16300949 0.82 TSHR (0.52) TSHRKMT2AMEN1SLC1A1CA12
SCHEMBL25763792 0.82 TSHR (0.52) TSHRKMT2AMEN1SLC1A1CA12
SCHEMBL27748155 0.79 TSHR (0.48) TSHRKMT2AMEN1SLC1A1CA12
SCHEMBL2637422 0.77 TSHR (0.46) TSHRKMT2AMEN1SLC1A1CA12
SCHEMBL5015129 0.77 L3MBTL1 (0.47) TSHRKMT2AMEN1SLC1A1L3MBTL1
SCHEMBL12410073 0.77 TSHR (0.46) TSHRKMT2AMEN1SLC1A1CA12
SCHEMBL28823176 0.75 KDM6B (0.44) TSHRKMT2AMEN1KDM6BKDM5C
SCHEMBL13613730 0.74 TSHR (0.43) TSHRKMT2AMEN1SLC1A1CA12
SCHEMBL19691931 0.74 TSHR (0.43) TSHRKMT2AMEN1SLC1A1CA12

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
CN-105647160-B A kind of preparation method of the resin containing water-soluble plasticizer and polyurethane 姜琪 2018-08-24 — — CN disclosed
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