SCHEMBL22383956

SCHEMBL22383956

COc1cc2c(cc1OC)[C@H](C(=O)c1ccc3c(c1)C=CC(C)(C)O3)[C@H](OC)CO2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ COXFA4 O00483 1/20 0.50
▸ CYP3A4 P08684 4/20 0.47
▸ MAPT P10636 3/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ TP53 P04637 2/20 0.47
▸ HSP90AA1 P07900 2/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ TDP1 Q9NUW8 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ USP2 O75604 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ PTPN1 P18031 2/20 0.44
▸ ODC1 P11926 1/20 0.42
▸ HIF1A Q16665 9/20 0.41
▸ EPAS1 Q99814 8/20 0.41
▸ EP300 Q09472 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
SCHEMBL16694297 0.82 COXFA4 (0.52) COXFA4CYP3A4MAPTSMN1; SMN2TP53
SCHEMBL16867638 0.82 COXFA4 (0.52) COXFA4CYP3A4MAPTSMN1; SMN2TP53
SCHEMBL16865490 0.78 COXFA4 (0.49) COXFA4CYP3A4MAPTSMN1; SMN2TP53
SCHEMBL16865546 0.78 COXFA4 (0.49) COXFA4CYP3A4MAPTSMN1; SMN2TP53
SCHEMBL16694172 0.73 COXFA4 (0.59) COXFA4CYP3A4HSP90AA1CYP1A2TSHR
SCHEMBL16694253 0.73 COXFA4 (0.49) COXFA4CYP3A4MAPTSMN1; SMN2TP53
SCHEMBL16694415 0.70 HIF1A (0.66) COXFA4HSP90AA1HIF1AEPAS1EP300
SCHEMBL16865497 0.69 COXFA4 (0.53) COXFA4HSP90AA1HIF1AEPAS1EP300
SCHEMBL16865496 0.69 COXFA4 (0.48) COXFA4CYP3A4MAPTSMN1; SMN2TP53
SCHEMBL11398330 0.69 COXFA4 (0.62) COXFA4CYP3A4MAPTSMN1; SMN2TP53

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
EP-3702783-A1 METHODS FOR DETERMINING CELLS SUCH AS CIRCULATING CANCER OR FETAL CELLS Analiza, Inc. (US) 2020-09-02 — — EP disclosed
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