SCHEMBL5145494

SCHEMBL5145494

C=CC(=O)OCCOOc1ccc2ccccc2c1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.47
ALDH1A1 P00352 5/20 0.38
HPGD P15428 3/20 0.38
HSD17B10 Q99714 2/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
GLA P06280 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 3/20 0.36
TP53 P04637 2/20 0.36
HIF1A Q16665 2/20 0.36
ATM Q13315 1/20 0.36
ABCG2 Q9UNQ0 2/20 0.35
NCEH1 Q6PIU2 2/20 0.34
METAP2 P50579 1/20 0.34
METAP1 P53582 1/20 0.34
TYMS P04818 1/20 0.34
CNR1 P21554 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
SCHEMBL5145324 0.82 NCEH1 (0.39) THRBALDH1A1HPGDHSD17B10KDM4E
SCHEMBL6283658 0.81 THRB (0.50) THRBALDH1A1HPGDHSD17B10KDM4E
SCHEMBL1360384 0.80 NCEH1 (0.48) THRBALDH1A1HPGDHSD17B10KDM4E
SCHEMBL31095838 0.80 NCEH1 (0.48) THRBALDH1A1HPGDHSD17B10KDM4E
SCHEMBL14343102 0.78 THRB (0.49) THRBALDH1A1HPGDHSD17B10KDM4E
SCHEMBL5268362 0.77 THRB (0.54) THRBALDH1A1HPGDHSD17B10KDM4E
SCHEMBL14069123 0.76 THRB (0.60) THRBALDH1A1HPGDHSD17B10KDM4E
SCHEMBL5145768 0.76 THRB (0.52) THRBALDH1A1HPGDHSD17B10KDM4E
SCHEMBL29745802 0.76 THRB (0.60) THRBALDH1A1HPGDHSD17B10KDM4E
SCHEMBL8415537 0.75 THRB (0.49) THRBALDH1A1HPGDHSD17B10KDM4E

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
US-7220529-B2 Photopolymerizable composition and recording material using the same FUJIFILM CORPORATION (JP) 2007-05-22 US disclosed
US-20050186504-A1 Photopolymerizable composition and recording material using the same FUJI PHOTO FILM CO., LTD. 2005-08-25 US disclosed