SCHEMBL4604946

SCHEMBL4604946

O=C1Oc2cccc(OCCO)c2C1c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
KDM4E B2RXH2 7/20 0.36
ALDH1A1 P00352 5/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MEN1 O00255 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
TP53 P04637 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
HTT P42858 2/20 0.36
RECQL P46063 1/20 0.36
HTR7 P34969 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
POLB P06746 2/20 0.34
BLM P54132 1/20 0.34

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
SCHEMBL8100448 0.77 CYP2C9 (0.38) GAAKDM4EALDH1A1SMN1; SMN2TP53
SCHEMBL7759240 0.76 CYP3A4 (0.36) GAAKDM4EALDH1A1SMN1; SMN2CYP3A4
SCHEMBL12231012 0.74 GAA (0.45) GAAKDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL6674488 0.73 LMNA (0.36) ALDH1A1SMN1; SMN2MEN1CYP3A4KMT2A
SCHEMBL30561156 0.72 ALDH1A1 (0.44) GAAALDH1A1MEN1MAPTKMT2A
SCHEMBL5605404 0.72 ALDH1A1 (0.44) GAAALDH1A1MEN1MAPTKMT2A
SCHEMBL4802675 0.71 GAA (0.46) GAAALDH1A1SMN1; SMN2MEN1CYP3A4
SCHEMBL4604945 0.70 GAA (0.43) GAAKDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL4449574 0.69 GAA (0.42) GAAALDH1A1HPGD
SCHEMBL28704288 0.68 HTR2A (0.47) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1934278-A2 NON-STAINING ANTIDEGRADANTS FOR VULCANIZED ELASTOMERS Ciba Holding Inc. (CH) 2008-06-25 EP disclosed
WO-2007042418-A2 NON-STAINING ANTIDEGRADANTS FOR VULCANIZED ELASTOMERS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2007-04-19 WO disclosed
EP-0892827-A1 STABILIZER COMPOSITION Clariant Finance (BVI) Limited (VG) 1999-01-27 EP disclosed
WO-1997039051-A1 STABILIZER COMPOSITION CLARIANT FINANCE (BVI) LIMITED (VG) 1997-10-23 WO disclosed