SCHEMBL20140570

SCHEMBL20140570

Cc1cc(F)c(C(=O)O)cc1C=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.40
TTR P02766 2/20 0.38
KDM4E B2RXH2 3/20 0.38
ASPH Q12797 1/20 0.38
KDM8 Q8N371 1/20 0.38
GRIA1 P42261 1/20 0.38
GRIA2 P42262 1/20 0.38
GRIA3 P42263 1/20 0.38
GRIA4 P48058 1/20 0.38
ALDH1A1 P00352 4/20 0.37
POLB P06746 4/20 0.37
L3MBTL1 Q9Y468 4/20 0.37
TDP1 Q9NUW8 3/20 0.37
CASP6 P55212 2/20 0.36
CTDSP1 Q9GZU7 2/20 0.36
APEX1 P27695 2/20 0.36
NSD2 O96028 1/20 0.36
PKM P14618 1/20 0.36
CASP3 P42574 1/20 0.36
RECQL P46063 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
SCHEMBL18239280 0.84 KDM4E (0.42) ERN1KDM4EGRIA1GRIA2GRIA3
SCHEMBL17262516 0.84 SLC22A6 (0.38) TTRKDM4EASPHKDM8ALDH1A1
SCHEMBL20140332 0.82 ERN1 (0.44) ERN1KDM4EASPHKDM8ALDH1A1
SCHEMBL12488767 0.82 GRIA1 (0.41) ERN1KDM4EGRIA1GRIA2GRIA3
SCHEMBL30281117 0.82 GRIA1 (0.41) ERN1KDM4EGRIA1GRIA2GRIA3
SCHEMBL12593947 0.80 KDM4E (0.45) KDM4EASPHKDM8ALDH1A1NOTUM
SCHEMBL691736 0.80 GRIA1 (0.48) ERN1KDM4EGRIA1GRIA2GRIA3
SCHEMBL24891886 0.79 ALDH1A1 (0.42) ERN1KDM4EGRIA1GRIA2GRIA3
SCHEMBL365017 0.78 KDM4E (0.44) KDM4EASPHKDM8ALDH1A1NOTUM
SCHEMBL27523055 0.78 KDM4E (0.44) TTRKDM4EASPHKDM8ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed