SCHEMBL11837941

SCHEMBL11837941

CCOC(=O)Cc1ccc(-c2ccc(OCCl)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.50
▸ HPGD P15428 2/20 0.50
▸ TBXAS1 P24557 1/20 0.50
▸ MAPT P10636 3/20 0.47
▸ CYP4Z1 Q86W10 1/20 0.46
▸ LIPE Q05469 1/20 0.44
▸ THRB P10828 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ PTPN1 P18031 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42

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
SCHEMBL68930 0.85 CYP4Z1 (0.57) ALDH1A1TBXAS1MAPTCYP4Z1LIPE
SCHEMBL11847298 0.84 MAPT (0.51) ALDH1A1TBXAS1MAPTCYP4Z1LIPE
SCHEMBL181473 0.84 HPGD (0.61) ALDH1A1HPGDTBXAS1MAPTCYP4Z1
SCHEMBL6781796 0.83 TBXAS1 (0.57) ALDH1A1HPGDTBXAS1KDM4ESMN1; SMN2
SCHEMBL8147343 0.83 TBXAS1 (0.57) ALDH1A1HPGDTBXAS1MAPTCYP4Z1
SCHEMBL9347360 0.83 KMT2A (0.59) ALDH1A1HPGDMAPTL3MBTL1GAA
SCHEMBL25242319 0.81 TBXAS1 (0.54) ALDH1A1HPGDTBXAS1MAPTCYP4Z1
SCHEMBL12126600 0.80 CYP4Z1 (0.53) ALDH1A1TBXAS1MAPTCYP4Z1LIPE
SCHEMBL11839196 0.80 ALDH1A1 (0.48) ALDH1A1HPGDMAPTCYP4Z1THRB
SCHEMBL68851 0.80 CYP4Z1 (0.62) ALDH1A1TBXAS1MAPTCYP4Z1LIPE

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-3941821-A ANTIINFLAMMATORY, ANALGESICS, ANTIPYRETICS WILLIAM H. RORER, INC. (US) 1976-03-02 — — US disclosed
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