SCHEMBL10719463

SCHEMBL10719463

O=C(c1ccc(Sc2ccccc2O)cc1)c1ccc(Sc2ccccc2O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 4/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ LIG1 P18858 1/20 0.44
▸ SRD5A2 P31213 1/20 0.42
▸ SIRT1 Q96EB6 1/20 0.42
▸ MAPT P10636 3/20 0.41
▸ LMNA P02545 3/20 0.41
▸ ESR1 P03372 1/20 0.41
▸ ESR2 Q92731 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ TDP1 Q9NUW8 3/20 0.41
▸ L3MBTL1 Q9Y468 4/20 0.41
▸ GLA P06280 1/20 0.40
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.38

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
SCHEMBL7539703 0.87 PKM (0.49) HPGDALDH1A1SRD5A2SIRT1MAPT
SCHEMBL5399446 0.79 NR1H2 (0.56) HPGDALDH1A1LIG1SIRT1MAPT
SCHEMBL27674603 0.79 HPGD (0.45) HPGDALDH1A1SRD5A2SIRT1MAPT
SCHEMBL27809567 0.79 ALDH1A1 (0.47) HPGDALDH1A1SRD5A2SIRT1MAPT
SCHEMBL487237 0.79 SIRT1 (0.50) HPGDALDH1A1SIRT1MAPTLMNA
SCHEMBL9625444 0.78 SIRT1 (0.56) HPGDALDH1A1SRD5A2SIRT1MAPT
SCHEMBL6787662 0.77 ALDH1A1 (0.67) HPGDALDH1A1SRD5A2MAPTLMNA
SCHEMBL17828242 0.77 ALDH1A1 (0.67) HPGDALDH1A1SRD5A2MAPTLMNA
SCHEMBL17828245 0.77 ALDH1A1 (0.67) HPGDALDH1A1SRD5A2MAPTLMNA
SCHEMBL3282737 0.77 HPGD (0.69) HPGDALDH1A1SRD5A2MAPTLMNA

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
JP-62184022-A — — None — — JP disclosed
JP-S62184022-A PRODUCTION OF AROMATIC POLYKETONE ASAHI CHEM IND CO LTD 1987-08-12 — — JP disclosed
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