SCHEMBL7769263

SCHEMBL7769263

CSCCCCCCC([NH])=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.38
TRPA1 O75762 4/20 0.34
ALDH1A1 P00352 2/20 0.33
CES2 O00748 3/20 0.32
CES1 P23141 3/20 0.32
TSHR P16473 2/20 0.32
LMNA P02545 1/20 0.32
NFKB1 P19838 1/20 0.32
PMP22 Q01453 1/20 0.32
RNPEP Q9H4A4 1/20 0.31
KDM4E B2RXH2 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GPR84 Q9NQS5 2/20 0.31
PPARG P37231 2/20 0.31
PPARD Q03181 2/20 0.31
PPARA Q07869 2/20 0.31
SLC22A6 Q4U2R8 1/20 0.31
SLC22A8 Q8TCC7 1/20 0.31
TLR2 O60603 1/20 0.31
HDAC11 Q96DB2 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
SCHEMBL7765821 1.00 FOLH1 (0.38) FOLH1TRPA1ALDH1A1CES2CES1
SCHEMBL7770023 0.98
SCHEMBL7773637 0.90
SCHEMBL2949601 0.79
SCHEMBL4740198 0.79 TSHR (0.47) ALDH1A1CES2CES1TSHRLMNA
SCHEMBL24988252 0.78 PAOX (0.52) FOLH1TRPA1ALDH1A1CES2CES1
SCHEMBL17323034 0.78 TSHR (0.60) FOLH1ALDH1A1TSHRLMNANFKB1
SCHEMBL4003102 0.78 TSHR (0.60) FOLH1ALDH1A1TSHRLMNANFKB1
SCHEMBL849456 0.78 TSHR (0.60) FOLH1ALDH1A1TSHRLMNANFKB1
SCHEMBL11413356 0.78 PAOX (0.52) FOLH1TRPA1ALDH1A1CES2CES1

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-0765879-B1 13-Substituted milbemycin 5-oxime derivatives, their preparation and their use against insects and other pests SANKYO CO (JP) 2001-02-14 EP disclosed
US-5861429-A MITICIDES AND ANTHELMINTICS SANKYO COMPANY, LIMITED (JP) 1999-01-19 US disclosed
EP-0765879-A1 13-Substituted milbemycin 5-oxime derivatives, their preparation and their use against insects and other pests SANKYO COMPANY LIMITED (JP) 1997-04-02 EP disclosed