SCHEMBL21336045

SCHEMBL21336045

O=C(C1=CCCC=C1)c1ccc(OCCO)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.55
NR1I2 O75469 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.41
PSMB1 P20618 1/20 0.40
PSMB5 P28074 1/20 0.40
PSMB2 P49721 1/20 0.40
ALDH1A1 P00352 3/20 0.39
RECQL P46063 1/20 0.39
PPARA Q07869 1/20 0.38
LTA4H P09960 1/20 0.38
MAPT P10636 4/20 0.37
LMNA P02545 2/20 0.37
PKM P14618 1/20 0.37
LSS P48449 1/20 0.37
MAPK1 P28482 1/20 0.37
RARB P10826 1/20 0.36
HRH4 Q9H3N8 1/20 0.36

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
SCHEMBL12179575 0.81 L3MBTL1 (0.51) GAAL3MBTL1ALDH1A1PPARALSS
SCHEMBL13943432 0.79 MAPT (0.49) GAAALDH1A1MAPTLMNAMAPK1
SCHEMBL1816349 0.78 GAA (0.85) GAANR1I2L3MBTL1PSMB1PSMB5
SCHEMBL26186643 0.75 SRD5A2 (0.57) ALDH1A1
SCHEMBL22333514 0.75 LMNA (0.31) ALDH1A1MAPTLMNAPKM
SCHEMBL16946579 0.73 CA1 (0.44) GAAL3MBTL1ALDH1A1MAPTLMNA
SCHEMBL25954201 0.73 GAA (0.77) GAANR1I2L3MBTL1PSMB1PSMB5
SCHEMBL26199176 0.72 PSMB1 (0.53) GAANR1I2PSMB1PSMB5PSMB2
SCHEMBL3469196 0.72 GAA (0.74) GAANR1I2L3MBTL1PSMB1PSMB5
SCHEMBL887049 0.72 GAA (1.00) GAAL3MBTL1ALDH1A1RECQLPPARA

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-2945755-B1 DIGITAL PRINTING INKS SUN CHEMICAL CORP (US) 2019-09-11 EP disclosed