SCHEMBL4771205

SCHEMBL4771205

CCC(CC)c1nc(C)c(C(=O)OCCCCC(C)=C(F)F)s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
ALDH1A1 P00352 7/20 0.38
HPGD P15428 3/20 0.38
KDM4E B2RXH2 5/20 0.36
HSD17B10 Q99714 1/20 0.34
LMNA P02545 3/20 0.34
CDC7 O00311 1/20 0.34
DBF4 Q9UBU7 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NPC1 O15118 5/20 0.33
RAB9A P51151 3/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
GLA P06280 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
SCHEMBL4765048 0.92 ALDH1A1 (0.40) TSHRALDH1A1HPGDKDM4EHSD17B10
SCHEMBL4768971 0.88 TSHR (0.38) TSHRALDH1A1HPGDKDM4EHSD17B10
SCHEMBL4771473 0.83 NPC1 (0.45) TSHRALDH1A1HPGDKDM4EHSD17B10
SCHEMBL4763597 0.82 TSHR (0.41) TSHRALDH1A1HPGDKDM4EHSD17B10
SCHEMBL4765315 0.81 TSHR (0.42) TSHRALDH1A1HPGDKDM4EHSD17B10
SCHEMBL4767560 0.81 TSHR (0.42) TSHRALDH1A1HPGDKDM4EHSD17B10
SCHEMBL4768733 0.80 ALDH1A1 (0.39) TSHRALDH1A1HPGDKDM4EHSD17B10
SCHEMBL4765331 0.80 TSHR (0.44) TSHRALDH1A1HPGDKDM4EHSD17B10
SCHEMBL4769481 0.79 TSHR (0.38) TSHRALDH1A1HPGDKDM4EHSD17B10
SCHEMBL4769337 0.79 TSHR (0.43) TSHRALDH1A1HPGDKDM4EHSD17B10

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
EP-1439169-B1 DIFLUOROALKENE DERIVATIVE, PEST CONTROL AGENT CONTAINING THE SAME, AND INTERMEDIATE THEREFOR KUMIAI CHEMICAL INDUSTRY CO (JP) 2008-08-06 EP disclosed
US-7273878-B2 Difluoroalkene derivative, pest control agent containing the same, and intermediate therefor KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2007-09-25 US disclosed
EP-1439169-A1 DIFLUOROALKENE DERIVATIVE, PEST CONTROL AGENT CONTAINING THE SAME, AND INTERMEDIATE THEREFOR KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2004-07-21 EP disclosed