SCHEMBL3225387

SCHEMBL3225387

COC(=O)CCC(C)(C#N)/N=N/C(C)(C#N)CCC(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.43
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 3/20 0.34
ALDH1A1 P00352 3/20 0.34
CA12 O43570 1/20 0.33
CA14 Q9ULX7 1/20 0.33
KDM4E B2RXH2 1/20 0.33
RECQL P46063 1/20 0.33
HSD17B10 Q99714 2/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
HPGD P15428 1/20 0.31
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
TET2 Q6N021 1/20 0.31

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
SCHEMBL491197 1.00 TSHR (0.43) TSHRKMT2AMEN1LMNAALDH1A1
SCHEMBL15759062 0.93 TSHR (0.43) TSHRKMT2AMEN1LMNAALDH1A1
SCHEMBL15355937 0.87 TSHR (0.41) TSHRKMT2AMEN1LMNAALDH1A1
SCHEMBL11648921 0.82
SCHEMBL11648924 0.82
SCHEMBL10016885 0.82 DGKA (0.33) TSHRMAPT
SCHEMBL14649851 0.81
SCHEMBL14085157 0.81 TSHR (0.36) TSHRALDH1A1KDM4ERECQLHSD17B10
SCHEMBL9155844 0.81
SCHEMBL9155838 0.81

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210198532-A1 PRESSURE-SENSITIVE ADHESIVE SHEET FOR SURFACE PROTECTION NITTO DENKO CORPORATION (JP) 2021-07-01 US disclosed
US-8182973-B2 Electrostatic-image-developing toner, process for producing electrostatic-image-developing toner, electrostatic image developer, image-forming method, and image-forming apparatus FUJI XEROX CO., LTD. (JP) 2012-05-22 US disclosed
US-20100068643-A1 ELECTROSTATIC-IMAGE-DEVELOPING TONER, PROCESS FOR PRODUCING ELECTROSTATIC-IMAGE-DEVELOPING TONER, ELECTROSTATIC IMAGE DEVELOPER, AND IMAGE-FORMING APPARATUS FUJI XEROX CO., LTD. (JP) 2010-03-18 US disclosed
US-20100047706-A1 ELECTROSTATIC-IMAGE-DEVELOPING TONER, PROCESS FOR PRODUCING ELECTROSTATIC-IMAGE-DEVELOPING TONER, ELECTROSTATIC IMAGE DEVELOPER, IMAGE-FORMING METHOD, AND IMAGE-FORMING APPARATUS FUJI XEROX CO., LTD. (JP) 2010-02-25 US disclosed