SCHEMBL9861829

SCHEMBL9861829

O=COc1ccccc1OC(=O)Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.37
ALDH1A1 P00352 5/20 0.35
HPGD P15428 4/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HTT P42858 1/20 0.35
KDM4E B2RXH2 3/20 0.35
HSD17B10 Q99714 3/20 0.35
MAPT P10636 2/20 0.35
SERPINE1 P05121 1/20 0.35
SRC P12931 1/20 0.35
KMT2A Q03164 2/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
TP53 P04637 1/20 0.33
ATM Q13315 1/20 0.33
ACHE P22303 1/20 0.33
ESR1 P03372 1/20 0.32
ITGB3 P05106 1/20 0.32
ITGA2B P08514 1/20 0.32
HMGB1 P09429 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
SCHEMBL30524282 0.85 SERPINE1 (0.43) PTGDR2ALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL5696260 0.85 SERPINE1 (0.43) PTGDR2ALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL9881101 0.80 ALDH1A1 (0.42) PTGDR2ALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL297205 0.75 CA1 (0.56) ALDH1A1SMN1; SMN2HTTHSD17B10MAPT
SCHEMBL2137125 0.74 FABP7 (0.39) ALDH1A1HPGDSMN1; SMN2KDM4EHSD17B10
SCHEMBL19399153 0.73 THRA (0.33) PTGDR2ALDH1A1HPGDSMN1; SMN2HTT
SCHEMBL695666 0.72 PTK2B (0.50) ALDH1A1HPGDSMN1; SMN2HTTMAPT
SCHEMBL27601473 0.72 GAA (0.50) ALDH1A1HPGDSMN1; SMN2KDM4EHSD17B10
SCHEMBL28829588 0.72 CXCL8 (0.42) PTGDR2HTTMAPTKMT2ATP53
SCHEMBL1977066 0.71 ALDH1A1 (0.48) ALDH1A1HPGDSMN1; SMN2KDM4EMAPT

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-0410929-A2 Linear polymers CIBA-GEIGY AG (CH) 1991-01-30 EP disclosed