SCHEMBL27915643

SCHEMBL27915643

Cc1cccc2oc(Cl)c(-c3ccccc3)c(=O)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 4/20 0.40
▸ CA2 P00918 4/20 0.40
▸ ADORA3 P0DMS8 2/20 0.40
▸ MAPT P10636 5/20 0.38
▸ LMNA P02545 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ CYP3A4 P08684 4/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ TP53 P04637 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ USP2 O75604 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ ALDH1A1 P00352 5/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ PDGFRA P16234 1/20 0.37
▸ MAPK8 P45983 1/20 0.37

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
SCHEMBL31276071 0.84 ALDH1A1 (0.52) CA1CA2ADORA3MAPTLMNA
SCHEMBL27915695 0.84 TTR (0.44) CA1CA2ADORA3MAPTLMNA
SCHEMBL27334864 0.84 ALDH1A1 (0.52) CA1CA2ADORA3MAPTLMNA
SCHEMBL8040882 0.81 CA1 (0.40) CA1CA2ADORA3MAPTLMNA
SCHEMBL31398712 0.81 MAPT (0.44) CA1CA2MAPTLMNAHTT
SCHEMBL27934311 0.79 ALDH1A1 (0.44) CA1CA2ADORA3MAPTCYP3A4
SCHEMBL25389290 0.78 ADORA3 (0.62) CA1CA2ADORA3MAPTLMNA
SCHEMBL13826315 0.78 ALDH1A1 (0.43) CA1CA2ADORA3MAPTLMNA
Alcohol SCHEMBL28016616 0.78 ALDH1A1 (0.53) CA1CA2MAPTLMNAHTT
SCHEMBL27915517 0.78 CA1 (0.38) CA1CA2ADORA3MAPTLMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103265518-B Photochemical reaction synthesis for isoflavones UNIV SHAANXI NORMAL 2015-01-14 — — CN claimed
CN-103265518-B Photochemical reaction synthesis for isoflavones UNIV SHAANXI NORMAL 2015-01-14 — — CN disclosed
CN-103265518-A Photochemical reaction synthesis for isoflavones UNIV SHAANXI NORMAL 2013-08-28 — — CN disclosed
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