SCHEMBL7840949

SCHEMBL7840949

COCc1ccc2c(c1)C=Cc1cc(C)ccc1C2c1c[nH]c(=O)[nH]c1=O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ P2RY2 P41231 5/20 0.39
▸ ALDH1A1 P00352 4/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ HSD17B10 Q99714 3/20 0.35
▸ TSHR P16473 2/20 0.35
▸ POLB P06746 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ LMNA P02545 2/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ ALOX12 P18054 1/20 0.34
▸ GAA P10253 1/20 0.32
▸ DPYD Q12882 1/20 0.32

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
SCHEMBL7490690 0.88 P2RY2 (0.40) P2RY2ALDH1A1KDM4EHSD17B10TSHR
SCHEMBL7488455 0.88 ATAD2 (0.40) P2RY2ALDH1A1KDM4EHSD17B10TSHR
SCHEMBL7486706 0.83 P2RY2 (0.37) P2RY2ALDH1A1KDM4EHSD17B10TSHR
SCHEMBL7491592 0.82 ALDH1A1 (0.45) P2RY2ALDH1A1KDM4EHSD17B10TSHR
SCHEMBL7840803 0.82 ATAD2 (0.38) P2RY2ALDH1A1KDM4EHSD17B10TSHR
SCHEMBL7841237 0.82 LMNA (0.42) ALDH1A1LMNA
SCHEMBL7841890 0.80 LMNA (0.36) P2RY2ALDH1A1KDM4EHSD17B10TSHR
SCHEMBL7491074 0.79 P2RY2 (0.34) P2RY2ALDH1A1KDM4EHSD17B10TSHR
SCHEMBL7841473 0.78 LMNA (0.37) P2RY2ALDH1A1KDM4EHSD17B10TSHR
SCHEMBL7492166 0.77 LMNA (0.43) ALDH1A1LMNA

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
EP-0984963-B1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2001-04-11 — — EP disclosed
US-6162808-A Compounds ASTRAZENECA U.K. LIMITED (GB) 2000-12-19 — — US disclosed
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