SCHEMBL9214534

SCHEMBL9214534

CC(=O)N(Cc1cccc(Cl)c1)C(O)C(C)O

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.55
▸ RECQL P46063 1/20 0.55
▸ SLC2A1 P11166 2/20 0.50
▸ RIPK1 Q13546 1/20 0.49
▸ AOC3 Q16853 3/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ GAA P10253 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ PYCR1 P32322 1/20 0.44
▸ PNMT P11086 1/20 0.44
▸ KCNQ2 O43526 1/20 0.43
▸ TAAR1 Q96RJ0 1/20 0.43
▸ WDR5 P61964 1/20 0.42
▸ PTGES O14684 1/20 0.41

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
SCHEMBL9209224 1.00 TSHR (0.55) TSHRRECQLSLC2A1RIPK1AOC3
SCHEMBL9824208 0.79 RIPK1 (0.64) TSHRRECQLSLC2A1RIPK1AOC3
SCHEMBL11447801 0.77 RIPK1 (0.46) TSHRRECQLSLC2A1RIPK1AOC3
SCHEMBL25711795 0.75 RIPK1 (0.59) TSHRRECQLRIPK1AOC3ALDH1A1
SCHEMBL14540715 0.75 RIPK1 (0.59) TSHRRECQLSLC2A1RIPK1AOC3
SCHEMBL9841880 0.72 TSHR (0.52) TSHRRECQLSLC2A1RIPK1AOC3
SCHEMBL30798978 0.70 TAAR1 (0.66) TSHRRECQLRIPK1AOC3ALDH1A1
SCHEMBL8290710 0.70 TAAR1 (0.66) TSHRRECQLRIPK1AOC3ALDH1A1
SCHEMBL17278345 0.70 RIPK1 (0.61) TSHRRECQLRIPK1AOC3ALDH1A1
SCHEMBL29565507 0.70 RIPK1 (0.65) TSHRRECQLRIPK1AOC3ALDH1A1

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-0411912-B1 Coumarin derivatives, their preparation and their use in the treatment of cerebrovascular disorders SANKYO CO (JP) 1995-04-19 — — EP disclosed
EP-0411912-A2 Coumarin derivatives, their preparation and their use in the treatment of cerebrovascular disorders Sankyo Company Limited (JP) 1991-02-06 — — EP disclosed
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