SCHEMBL9841880

SCHEMBL9841880

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

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.52
▸ RECQL P46063 1/20 0.52
▸ SLC2A1 P11166 1/20 0.51
▸ RIPK1 Q13546 1/20 0.44
▸ CRY1 Q16526 1/20 0.42
▸ CRY2 Q49AN0 1/20 0.42
▸ PTGES O14684 1/20 0.42
▸ GHSR Q92847 2/20 0.40
▸ PYCR1 P32322 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MAOA P21397 2/20 0.39
▸ MAOB P27338 2/20 0.39
▸ PNMT P11086 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ AOC3 Q16853 1/20 0.38
▸ TAS2R14 Q9NYV8 1/20 0.38
▸ RORC P51449 1/20 0.38

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
SCHEMBL6434588 0.75 SLC2A1 (0.59) TSHRRECQLSLC2A1RIPK1PTGES
SCHEMBL9824208 0.73 RIPK1 (0.64) TSHRRECQLSLC2A1RIPK1PYCR1
SCHEMBL9209224 0.72 TSHR (0.55) TSHRRECQLSLC2A1RIPK1PTGES
SCHEMBL9214534 0.72 TSHR (0.55) TSHRRECQLSLC2A1RIPK1PTGES
SCHEMBL7453269 0.72 CHRM2 (0.49) TSHRSLC2A1RIPK1ALDH1A1GAA
SCHEMBL25711795 0.70 RIPK1 (0.59) TSHRRECQLRIPK1PYCR1PNMT
SCHEMBL4781067 0.70 PNMT (0.59) TSHRRECQLSLC2A1RIPK1MAOA
SCHEMBL19208209 0.69 TSHR (0.48) TSHRRECQLSLC2A1RIPK1PTGES
SCHEMBL4877499 0.69 BCHE (0.42) PTGES
SCHEMBL9209218 0.69 NPC1 (0.51) TSHRSMN1; SMN2ALDH1A1

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
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
Send feedback