SCHEMBL9798906

SCHEMBL9798906

COC(=O)c1ccc(OCCCN2C(=O)c3ccccc3C2=O)c(OC)c1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.69
ALDH1A1 P00352 6/20 0.55
POLB P06746 2/20 0.55
TSHR P16473 1/20 0.55
GAA P10253 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
MAPT P10636 2/20 0.50
HSP90AA1 P07900 1/20 0.50
HTT P42858 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HSD17B10 Q99714 1/20 0.50
LMNA P02545 1/20 0.49
BACE1 P56817 1/20 0.49

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
SCHEMBL6566519 0.83 MAPK1 (0.69) MAPK1ALDH1A1POLBTSHRGAA
SCHEMBL15693964 0.82 ALDH1A1 (0.55) MAPK1ALDH1A1TSHRL3MBTL1MAPT
SCHEMBL16718938 0.82 RAB9A (0.65) MAPK1POLBGAAL3MBTL1MAPT
SCHEMBL616023 0.81 RAB9A (0.61) MAPK1ALDH1A1POLBTSHRGAA
SCHEMBL25039756 0.81 ALDH1A1 (0.54) MAPK1ALDH1A1POLBTSHRL3MBTL1
SCHEMBL29729331 0.81 ALDH1A1 (0.54) MAPK1ALDH1A1POLBTSHRL3MBTL1
SCHEMBL7383650 0.81 TSHR (0.69) ALDH1A1TSHRL3MBTL1MAPTSMN1; SMN2
SCHEMBL2149738 0.81 MAPT (0.66) MAPK1ALDH1A1TSHRMAPTHSP90AA1
SCHEMBL5767014 0.79 MAPT (0.64) TSHRMAPTHSP90AA1HTTNPSR1
SCHEMBL1506144 0.79 ALDH1A1 (0.53) MAPK1ALDH1A1POLBTSHRGAA

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-5061720-A ANTIINFLAMMATORY AGENTS FOR TOPICAL APPLICATION TO SKIN A. H. ROBINS COMPANY, INC. (US) 1991-10-29 US disclosed