SCHEMBL6971619

SCHEMBL6971619

COC(=O)COCCCC#N

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.37
TDP1 Q9NUW8 1/20 0.34
CES2 O00748 2/20 0.33
HSD17B10 Q99714 1/20 0.32
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
P2RY12 Q9H244 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
RECQL P46063 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
SCHEMBL6965605 0.94 CES2 (0.36) TSHRTDP1CES2HSD17B10MGAM
SCHEMBL11477276 0.88 TSHR (0.37) TSHRTDP1HSD17B10MGAMGAA
SCHEMBL22492321 0.81 KMT2A (0.43) TSHRTDP1CES2MGAMGAA
SCHEMBL25277310 0.81 TSHR (0.37) TSHRCES2HSD17B10MGAMGAA
SCHEMBL6964936 0.79 CES2 (0.33) TSHRTDP1CES2MEN1KMT2A
SCHEMBL25226390 0.79 TSHR (0.35) TSHRCES2HSD17B10MGAMGAA
SCHEMBL25277993 0.78 TSHR (0.34) TSHRCES2HSD17B10MGAMGAA
SCHEMBL6964938 0.78 TSHR (0.35) TSHRCES2MEN1KMT2A
SCHEMBL6463788 0.76 TSHR (0.50) TSHRTDP1CES2HSD17B10MGAM
SCHEMBL1059079 0.75 CES2 (0.52) TSHRCES2HSD17B10MEN1KMT2A

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
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed