SCHEMBL8174950

SCHEMBL8174950

COc1ccc(Oc2c(CNc3ccccc3C(=O)O)sc3cc(OC)c(OC)cc23)cc1.[NaH]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 1/20 0.43
▸ AKR1C2 P52895 1/20 0.43
▸ HCAR2 Q8TDS4 1/20 0.42
▸ KMT2A Q03164 8/20 0.41
▸ MEN1 O00255 7/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ MAPT P10636 4/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ NPC1 O15118 3/20 0.40
▸ RECQL P46063 2/20 0.40
▸ KDM4C Q9H3R0 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ CHEK1 O14757 1/20 0.40
▸ PIM1 P11309 1/20 0.40
▸ MAPK8 P45983 1/20 0.40
▸ CLK4 Q9HAZ1 1/20 0.40
▸ CDC25B P30305 2/20 0.39
▸ GAA P10253 2/20 0.39
▸ RAB9A P51151 2/20 0.39

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
SCHEMBL7431686 0.99 AKR1C3 (0.43) AKR1C3AKR1C2HCAR2KMT2AMEN1
SCHEMBL8174946 0.90 L3MBTL1 (0.40) KMT2AMEN1L3MBTL1MAPTALDH1A1
SCHEMBL7431734 0.83 L3MBTL1 (0.39) AKR1C3AKR1C2KMT2AMEN1L3MBTL1
SCHEMBL8175655 0.82 CA1 (0.47) KMT2AMEN1L3MBTL1MAPTALDH1A1
SCHEMBL7391101 0.82 CA12 (0.44) KMT2AMEN1L3MBTL1MAPTALDH1A1
SCHEMBL8181521 0.82 PPARA (0.51) AKR1C3AKR1C2KMT2AMEN1L3MBTL1
Ammonia Solution, Strong SCHEMBL8176215 0.81 CA12 (0.43) KMT2AMEN1L3MBTL1MAPTALDH1A1
Ammonia Solution, Strong SCHEMBL8176216 0.81 CA12 (0.43) KMT2AMEN1L3MBTL1MAPTALDH1A1
SCHEMBL7444160 0.81 CA1 (0.48) KMT2AMEN1L3MBTL1MAPTALDH1A1
SCHEMBL7393277 0.81 PPARA (0.52) AKR1C3AKR1C2KMT2AMEN1L3MBTL1

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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