SCHEMBL9446345

SCHEMBL9446345

COc1c(N)cc(C)c(O)c1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ GAA P10253 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ PKM P14618 1/20 0.44
▸ TDP1 Q9NUW8 2/20 0.43
▸ EPHX2 P34913 3/20 0.40
▸ FYN P06241 1/20 0.39
▸ CYP3A4 P08684 3/20 0.37
▸ TSHR P16473 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ PTGS1 P23219 3/20 0.36
▸ PTGS2 P35354 3/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ BLM P54132 1/20 0.35

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
SCHEMBL20123234 0.79 TDP1 (0.48) MAPTALDH1A1KDM4EGAALMNA
SCHEMBL27967338 0.77 ALDH1A1 (0.40) ALDH1A1KDM4EGAATDP1CYP3A4
SCHEMBL5270436 0.77 CYP3A4 (0.40) ALDH1A1KDM4EGAATDP1CYP3A4
SCHEMBL29727382 0.77 TDP1 (0.58) MAPTALDH1A1KDM4EGAALMNA
SCHEMBL1961832 0.77 TDP1 (0.58) MAPTALDH1A1KDM4EGAALMNA
SCHEMBL29421891 0.76 EPHX2 (0.57) MAPTTDP1EPHX2FYNCYP3A4
SCHEMBL4472439 0.76 EPHX2 (0.57) MAPTTDP1EPHX2FYNCYP3A4
SCHEMBL17368405 0.74 TUBB4A (0.39) MAPTALDH1A1KDM4EGAALMNA
SCHEMBL3005373 0.73 CYP3A4 (0.40) ALDH1A1KDM4EGAATDP1CYP3A4
SCHEMBL27773010 0.73 CYP3A4 (0.40) ALDH1A1KDM4EGAATDP1CYP3A4

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
US-5254590-A Enzyme inhibitors, anticholesterol, treatment of atheroscherosis, dylipidemias ADIR ET COMPAGNIE (FR) 1993-10-19 — — US disclosed
EP-0508842-A1 Aminoacylphenol derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1992-10-14 — — EP disclosed
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