SCHEMBL21316776

SCHEMBL21316776

COc1ccc2c(O)c3ccc(=O)cc-3oc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NQO1 P15559 1/20 0.56
▸ KDM4E B2RXH2 7/20 0.54
▸ ALDH1A1 P00352 7/20 0.54
▸ MAPT P10636 5/20 0.54
▸ CYP3A4 P08684 5/20 0.54
▸ HPGD P15428 5/20 0.54
▸ MEN1 O00255 4/20 0.54
▸ TP53 P04637 4/20 0.54
▸ KMT2A Q03164 4/20 0.54
▸ HSD17B10 Q99714 4/20 0.54
▸ CYP2C9 P11712 3/20 0.54
▸ CYP2C19 P33261 3/20 0.54
▸ CYP2D6 P10635 2/20 0.54
▸ MAOB P27338 3/20 0.52
▸ APP P05067 1/20 0.51
▸ CASP1 P29466 1/20 0.51
▸ CASP7 P55210 1/20 0.51
▸ NPC1 O15118 2/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ GAA P10253 1/20 0.51

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
SCHEMBL16804613 0.84 KDM4E (0.56) KDM4EALDH1A1MAPTCYP3A4HPGD
SCHEMBL16808265 0.80 ALDH1A1 (0.51) KDM4EALDH1A1MAPTCYP3A4HPGD
SCHEMBL12909292 0.78 MEN1 (0.59) KDM4EALDH1A1MAPTCYP3A4HPGD
SCHEMBL12909280 0.78 MEN1 (0.59) KDM4EALDH1A1MAPTCYP3A4HPGD
SCHEMBL10167876 0.77 MEN1 (0.72) KDM4EALDH1A1MAPTCYP3A4HPGD
SCHEMBL12909289 0.77 MEN1 (0.59) KDM4EALDH1A1MAPTCYP3A4HPGD
SCHEMBL7114994 0.76 KDM4E (0.66) KDM4EALDH1A1MAPTCYP3A4HPGD
SCHEMBL10205417 0.76 USP2 (0.58) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL20362457 0.76 KDM4E (0.50) KDM4EALDH1A1MAPTCYP3A4HPGD
SCHEMBL6276172 0.76 NQO1 (0.73) NQO1KDM4EALDH1A1MAPTCYP3A4

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-10401349-B2 Compositions and methods for disease diagnosis using single cell analysis KLARIS CORPORATION (US) 2019-09-03 — — US disclosed
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