SCHEMBL4907668

SCHEMBL4907668

[O]C(=O)CCOc1ccccc1-c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.59
ALDH1A1 P00352 5/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
HTT P42858 3/20 0.57
TP53 P04637 1/20 0.57
MAPK1 P28482 1/20 0.57
RAB9A P51151 1/20 0.57
L3MBTL1 Q9Y468 3/20 0.57
TDP1 Q9NUW8 1/20 0.57
LMNA P02545 1/20 0.56
HTR7 P34969 1/20 0.54
KMT2A Q03164 2/20 0.53
GAA P10253 1/20 0.53
RXRA P19793 1/20 0.53
RXRB P28702 1/20 0.53
RXRG P48443 1/20 0.53
MEN1 O00255 1/20 0.52
PKM P14618 1/20 0.52

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
SCHEMBL28439445 0.83 FFAR4 (0.67) KDM4EALDH1A1SMN1; SMN2HTTTP53
SCHEMBL4906513 0.82 L3MBTL1 (0.70) KDM4EALDH1A1SMN1; SMN2HTTTP53
SCHEMBL156467 0.82 KDM4E (0.58) KDM4EALDH1A1SMN1; SMN2HTTTP53
SCHEMBL7041841 0.82 MMP3 (0.63) KDM4EALDH1A1SMN1; SMN2HTTTP53
SCHEMBL8660737 0.81 KDM4E (0.62) KDM4EALDH1A1SMN1; SMN2HTTTP53
SCHEMBL29418129 0.81 TP53 (0.69) KDM4EALDH1A1SMN1; SMN2HTTTP53
SCHEMBL159005 0.81 TP53 (0.69) KDM4EALDH1A1SMN1; SMN2HTTTP53
SCHEMBL13739595 0.81 TP53 (0.74) KDM4EALDH1A1SMN1; SMN2HTTTP53
SCHEMBL620996 0.81 KDM4E (0.57) KDM4EALDH1A1SMN1; SMN2HTTTP53
SCHEMBL8353116 0.80 KDM4E (0.61) KDM4EALDH1A1SMN1; SMN2HTTTP53

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
US-20080107829-A1 Cellulose compound, cellulose film, optical compensation sheet, polarizing plate, and liquid crystal display device FUJIFILM CORPORATION (JP) 2008-05-08 US disclosed