SCHEMBL5028546

SCHEMBL5028546

C=C(C)C(=O)OCCCC.N#CC=CC=Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.51
KDM4E B2RXH2 3/20 0.50
TSHR P16473 3/20 0.45
POLB P06746 2/20 0.42
APEX1 P27695 1/20 0.42
HTT P42858 1/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL9724589 0.96 TDP1 (0.50) TDP1KDM4ETSHRPOLBAPEX1
SCHEMBL28003480 0.96 TDP1 (0.50) TDP1KDM4ETSHRPOLBAPEX1
SCHEMBL28004391 0.89 TDP1 (0.47) TDP1KDM4ETSHRPOLBMEN1
SCHEMBL441192 0.88 POLB (0.38) TDP1KDM4EPOLBAPEX1HTT
SCHEMBL3257562 0.87 POLB (0.40) TDP1KDM4ETSHRPOLBAPEX1
Hydrochloric Acid SCHEMBL28414779 0.86 POLB (0.37) TDP1KDM4EPOLBAPEX1HTT
SCHEMBL1263987 0.86 TSHR (0.52) TDP1KDM4ETSHRPOLBMEN1
SCHEMBL10585936 0.86 BCHE (0.43) KDM4ETSHRPOLBMEN1KMT2A
Hydrochloric Acid SCHEMBL28415582 0.85 CHRM1 (0.40) TDP1KDM4EPOLBAPEX1HTT
SCHEMBL11525853 0.85 KDM4E (0.54) TDP1KDM4ETSHRPOLBAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7413839-B2 Toner, developer, toner container, process cartridge, and an image forming apparatus RICOH COMPANY, LTD. (JP) 2008-08-19 US disclosed
US-20050214670-A1 blends of compatible amorphous and crystalline polyester resins and carbon black, having offset resistance and low temperature fixability to allow high quality image RICOH COMPANY, LTD. (JP) 2005-09-29 US disclosed
US-4141934-A MULTISTAGE, THERMOPLASTIC STYRENE COPOLYMER MOLDING MATERIALS BAYER AKTIENGESELLSCHAFT (DE) 1979-02-27 US disclosed