SCHEMBL5406283

SCHEMBL5406283

[CH2]C(C(N)=O)c1ccc(O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 9/20 0.41
ESR2 Q92731 8/20 0.41
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
HIF1A Q16665 3/20 0.40
CYP3A4 P08684 3/20 0.40
TAAR1 Q96RJ0 2/20 0.40
CA2 P00918 2/20 0.40
NFKB1 P19838 2/20 0.40
BLM P54132 2/20 0.40
PMP22 Q01453 2/20 0.40
HTR3A P46098 1/20 0.40
TSHR P16473 1/20 0.40
PEPD P12955 1/20 0.40
MPO P05164 1/20 0.40
KDM5A P29375 1/20 0.40
GFER P55789 1/20 0.40
SRC P12931 1/20 0.39
ALOX15 P16050 3/20 0.39
TDP1 Q9NUW8 2/20 0.39

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
SCHEMBL4838973 0.79 EPHX1 (0.48) SRCLMNAPKMCYP1A2ADORA3
SCHEMBL1829026 0.79 EPHX1 (0.48) SRCLMNAPKMCYP1A2ADORA3
SCHEMBL3970608 0.79 SRC (0.50) ESR1ESR2PDCD1CD274HIF1A
SCHEMBL5597741 0.78 ESR1 (0.46) ESR1ESR2PDCD1CD274HIF1A
SCHEMBL27843461 0.77 EPHX1 (0.42) CA2TSHRCA12CA1CA4
SCHEMBL443291 0.76 MEN1 (0.47) ESR1ESR2PDCD1CD274HIF1A
SCHEMBL27761879 0.76 CYP3A4 (0.42) CYP3A4MPOTDP1KDM4ECYP1A2
SCHEMBL4877111 0.74 HIF1A (0.48) ESR1ESR2PDCD1CD274HIF1A
SCHEMBL1354759 0.74 ESR1 (0.42) ESR1ESR2PDCD1CD274HIF1A
SCHEMBL1354755 0.74 ESR1 (0.42) ESR1ESR2PDCD1CD274HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1663962-A4 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION DENDREON CORP (US) 2007-08-22 EP claimed
JP-2007503392-A 2007-02-22 JP claimed
EP-1663962-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION DENDREON CORPORATION (US) 2006-06-07 EP claimed
WO-2005020897-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION DENDREON CORPORATION (US) 2005-03-10 WO claimed
EP-1663962-A4 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION DENDREON CORP (US) 2007-08-22 EP disclosed
EP-1663962-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION DENDREON CORPORATION (US) 2006-06-07 EP disclosed
WO-2005020897-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DISEASE ASSOCIATED WITH TRP-P8 EXPRESSION DENDREON CORPORATION (US) 2005-03-10 WO disclosed
CN-1091288-A The oxytocin antagonist OTSUKA PHARMA CO LTD (JP) 1994-08-31 CN disclosed
CN-1046529-A Carbostyril derivative OTSUKA PHARMA CO LTD (JP) 1990-10-31 CN disclosed