SCHEMBL29721189

SCHEMBL29721189

COC(=O)CCOCCOCCOCCOCCOCCOCCNC(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 4/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ EPHX1 P07099 1/20 0.41
▸ CA12 O43570 2/20 0.38
▸ CA14 Q9ULX7 2/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ LMNA P02545 3/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ TLR2 O60603 1/20 0.36
▸ TLR1 Q15399 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ EPHX2 P34913 1/20 0.33
▸ ACHE P22303 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ HSD17B10 Q99714 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
SCHEMBL9340071 0.85 EPHX1 (0.52) KMT2AMEN1EPHX1HSP90AA1LMNA
SCHEMBL22423305 0.85 MEN1 (0.44) TSHRKMT2AMEN1EPHX1CA12
SCHEMBL29721054 0.85 MEN1 (0.44) TSHRKMT2AMEN1EPHX1HSP90AA1
SCHEMBL24340304 0.85 MEN1 (0.44) TSHRKMT2AMEN1EPHX1HSP90AA1
SCHEMBL860821 0.85 TSHR (0.44) TSHRKMT2AMEN1CA12CA14
SCHEMBL25457968 0.85 MEN1 (0.44) TSHRKMT2AMEN1EPHX1CA12
SCHEMBL29240391 0.85 MEN1 (0.44) TSHRKMT2AMEN1EPHX1HSP90AA1
SCHEMBL22256341 0.84 TDP1 (0.46) TSHRKMT2AMEN1EPHX1CA12
SCHEMBL21082300 0.84 TDP1 (0.46) TSHRKMT2AMEN1EPHX1CA12
SCHEMBL25756409 0.84 TDP1 (0.46) TSHRKMT2AMEN1EPHX1CA12

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
CN-115368916-A Droplet interior surface engineering for capture of molecular targets 斯特拉斯堡大学 2022-11-22 — — CN disclosed
CN-109073647-B Droplet interior surface engineering for capture of molecular targets 斯特拉斯堡大学 2022-07-12 — — CN disclosed
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