SCHEMBL9615564

SCHEMBL9615564

C=C(C)C(=O)OCC(COC(=O)C(=C)C)OC(=O)c1cccc(C(=O)O)c1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
PTGS2 P35354 1/20 0.37
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 6/20 0.34
PRKCG P05129 3/20 0.34
PRKCB P05771 3/20 0.34
PRKCA P17252 3/20 0.34
PRKCH P24723 3/20 0.34
PRKCD Q05655 3/20 0.34
PRKCE Q02156 2/20 0.34
PTPN1 P18031 1/20 0.33
SLC37A4 O43826 1/20 0.33
KDM4E B2RXH2 2/20 0.32
HPGD P15428 2/20 0.32
SERPINE1 P05121 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL9615551 0.94 TSHR (0.37) TSHRPTGS2POLBAPEX1HTT
SCHEMBL9615547 0.92 POLB (0.38) TSHRPTGS2POLBAPEX1HTT
SCHEMBL9615565 0.88 ALDH1A1 (0.45) TSHRPTGS2POLBAPEX1HTT
SCHEMBL12789621 0.84 TSHR (0.42) TSHRPTGS2POLBAPEX1HTT
SCHEMBL4097168 0.82 TSHR (0.45) TSHRPTGS2POLBAPEX1HTT
SCHEMBL14730856 0.82 TSHR (0.45) TSHRPTGS2POLBAPEX1HTT
SCHEMBL9615555 0.82 ALDH1A1 (0.45) TSHRPTGS2TDP1ALDH1A1KDM4E
SCHEMBL9615545 0.81 POLB (0.41) TSHRPTGS2POLBAPEX1HTT
SCHEMBL4882782 0.81 TSHR (0.44) TSHRPOLBAPEX1HTTTDP1
SCHEMBL10585165 0.81 ALDH1A1 (0.39) TSHRPTGS2POLBAPEX1HTT

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-5096799-A Carboxy grou-containing binder, photoinitiator with lophine dimer, carboxy and ester group-containing compound to prevent discoloration, monomer; storage stable FUJI PHOTO FILM CO., LTD. (JP) 1992-03-17 US disclosed