SCHEMBL8314675

SCHEMBL8314675

O=C(O)COc1ccc(C(=O)CCl)cc1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.57
ALDH1A1 P00352 4/20 0.53
GSK3B P49841 2/20 0.53
TRPA1 O75762 1/20 0.53
MAPK1 P28482 1/20 0.53
HIF1A Q16665 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.51
FFAR1 O14842 1/20 0.51
MAPT P10636 3/20 0.50
MEN1 O00255 1/20 0.50
PTPN7 P35236 1/20 0.50
KMT2A Q03164 1/20 0.50
PTPN12 Q05209 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.47

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
SCHEMBL7336923 0.86 ALOX15 (0.53) ALOX15ALDH1A1SMN1; SMN2FFAR1MAPT
SCHEMBL8828412 0.83 ALOX15 (0.59) ALOX15ALDH1A1SMN1; SMN2FFAR1MAPT
SCHEMBL10886176 0.82 GSK3B (0.57) ALDH1A1GSK3BTRPA1MAPK1HIF1A
SCHEMBL339492 0.82 ALOX15 (0.81) ALOX15ALDH1A1MAPK1SMN1; SMN2FFAR1
SCHEMBL11660630 0.81 ALOX15 (0.57) ALOX15ALDH1A1SMN1; SMN2FFAR1MAPT
SCHEMBL11658609 0.81 ALOX15 (0.57) ALOX15ALDH1A1GSK3BSMN1; SMN2FFAR1
SCHEMBL458062 0.81 GSK3B (0.59) ALOX15ALDH1A1GSK3BSMN1; SMN2FFAR1
SCHEMBL7929301 0.81 MEN1 (0.58) ALOX15ALDH1A1SMN1; SMN2MAPTMEN1
SCHEMBL1965751 0.81 ALOX15 (0.61) ALOX15ALDH1A1SMN1; SMN2FFAR1MAPT
SCHEMBL10886125 0.81 L3MBTL1 (0.56) ALDH1A1GSK3BTRPA1MAPK1HIF1A

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-0897920-A1 NOVEL HETEROCYCLIC COMPOUNDS HAVING PLATELET AGGREGATION INHIBITORY EFFECTS MEIJI SEIKA KABUSHIKI KAISHA (JP) 1999-02-24 EP disclosed