SCHEMBL8176541

SCHEMBL8176541

CCOC(=O)C(Cc1sc2cc(OC)c(OC)cc2c1Oc1ccc(OC)cc1)c1ccncc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SERPINE1 P05121 6/20 0.40
▸ L3MBTL1 Q9Y468 3/20 0.37
▸ CDC7 O00311 2/20 0.35
▸ DBF4 Q9UBU7 2/20 0.35
▸ KDR P35968 2/20 0.35
▸ PDGFRA P16234 1/20 0.35
▸ MAPT P10636 2/20 0.34
▸ STING1 Q86WV6 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ ICAM1 P05362 1/20 0.34
▸ SELE P16581 1/20 0.34
▸ CCNC P24863 1/20 0.34
▸ CDK8 P49336 1/20 0.34
▸ ESR1 P03372 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ NPBWR1 P48145 1/20 0.33
▸ TDP1 Q9NUW8 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
SCHEMBL7388534 0.90 SERPINE1 (0.43) SERPINE1L3MBTL1STING1ICAM1SELE
SCHEMBL8180219 0.88 SERPINE1 (0.42) SERPINE1L3MBTL1KDRPDGFRAICAM1
SCHEMBL8176254 0.81 L3MBTL1 (0.41) L3MBTL1MAPTSTING1ALDH1A1NPBWR1
SCHEMBL8167640 0.76 L3MBTL1 (0.42) L3MBTL1KDRMAPTSTING1ALDH1A1
SCHEMBL7394624 0.73 STING1 (0.50) SERPINE1L3MBTL1MAPTSTING1ALDH1A1
SCHEMBL7395401 0.73 L3MBTL1 (0.51) SERPINE1L3MBTL1PDGFRASTING1ICAM1
SCHEMBL8180473 0.71 L3MBTL1 (0.40) SERPINE1L3MBTL1KDRMAPTSTING1
SCHEMBL7395385 0.71 L3MBTL1 (0.46) SERPINE1L3MBTL1KDRPDGFRAMAPT
SCHEMBL7394439 0.70 L3MBTL1 (0.43) SERPINE1L3MBTL1STING1ALDH1A1ICAM1
SCHEMBL7392946 0.70 L3MBTL1 (0.43) SERPINE1L3MBTL1STING1ALDH1A1ICAM1

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-6048875-A CARDIOVASCULAR DISORDERS; REDUCING THROMBOSIS ADIR ET COMPAGNIE (FR) 2000-04-11 — — US disclosed
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