SCHEMBL5017809

SCHEMBL5017809

O=C(O)Cc1ccccc1C=CF

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.52
TDP1 Q9NUW8 1/20 0.46
CXCL8 P10145 5/20 0.44
PTGER4 P35408 1/20 0.41
PTGER3 P43115 1/20 0.41
PTGER2 P43116 1/20 0.41
BCAT2 O15382 1/20 0.41
SRC P12931 1/20 0.41
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40
MAPT P10636 1/20 0.40
PTGS2 P35354 3/20 0.39
AKR1B10 O60218 1/20 0.38
UGT1A9 O60656 1/20 0.38
TRPA1 O75762 1/20 0.38
ABCB11 O95342 1/20 0.38
MT-CO2 P00403 1/20 0.38
TTR P02766 1/20 0.38
ALB P02768 1/20 0.38
UGT1A6 P19224 1/20 0.38

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
SCHEMBL8012913 0.81 PTGER3 (0.61) AKR1B1TDP1PTGER4PTGER3PTGER2
SCHEMBL8012911 0.81 PTGER3 (0.61) AKR1B1TDP1PTGER4PTGER3PTGER2
SCHEMBL5026445 0.80 KDM4E (0.42) TDP1PTGER4PTGER3PTGER2KDM4E
SCHEMBL115054 0.79 SRC (0.58) AKR1B1TDP1CXCL8BCAT2SRC
SCHEMBL28314097 0.77 MAPT (0.54) AKR1B1PTGER4PTGER3PTGER2KDM4E
SCHEMBL156765 0.77 AKR1B1 (0.55) AKR1B1TDP1CXCL8BCAT2SRC
SCHEMBL5027822 0.76 PTGER4 (0.33) PTGER4PTGER3PTGER2
Hydrochloric Acid SCHEMBL10627468 0.76 AKR1B1 (0.53) AKR1B1TDP1CXCL8BCAT2SRC
Lithium SCHEMBL29604103 0.76 AKR1B1 (0.53) AKR1B1TDP1CXCL8BCAT2SRC
SCHEMBL27976060 0.76 AKR1B1 (0.53) AKR1B1TDP1CXCL8BCAT2SRC

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
EP-1904504-A2 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING Methylgene, Inc. (CA) 2008-04-02 EP disclosed
WO-2007054831-A2 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING METHYLGENE, INC. (CA) 2007-05-18 WO disclosed