SCHEMBL2441613

SCHEMBL2441613

CCCCCC(C=C(C)Cl)CCCCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
TSHR P16473 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
OPRM1 P35372 1/20 0.36
FDPS P14324 4/20 0.35
MAPT P10636 2/20 0.35
TRPA1 O75762 1/20 0.35
DDAH1 O94760 1/20 0.35
GAPDH P04406 1/20 0.35
GPR84 Q9NQS5 3/20 0.34
SPHK1 Q9NYA1 1/20 0.34
FFAR1 O14842 1/20 0.34
CA1 P00915 1/20 0.34
TP53 P04637 1/20 0.33
LAP3 P28838 1/20 0.33
LCK P06239 1/20 0.33
PPARD Q03181 1/20 0.33
ZDHHC20 Q5W0Z9 1/20 0.33
ZDHHC2 Q9UIJ5 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL28281546 0.79 LMNA (0.44) LMNATSHRSMN1; SMN2FDPSMAPT
SCHEMBL7568238 0.77 LMNA (0.38) LMNATSHRSMN1; SMN2OPRM1FDPS
SCHEMBL26624434 0.75 LCK (0.50) MAPTGPR84FFAR1LCKPPARD
SCHEMBL11024665 0.75 LCK (0.50) MAPTGPR84FFAR1LCKPPARD
SCHEMBL11659422 0.75 LCK (0.50) MAPTGPR84FFAR1LCKPPARD
SCHEMBL27513963 0.75 LCK (0.50) MAPTGPR84FFAR1LCKPPARD
SCHEMBL11661583 0.75 LCK (0.50) MAPTGPR84FFAR1LCKPPARD
SCHEMBL24735792 0.74 SPHK1 (0.41) LMNATSHRSMN1; SMN2OPRM1FDPS
SCHEMBL6577529 0.74 LCK (0.48) TSHRSMN1; SMN2MAPTGPR84FFAR1
SCHEMBL28742173 0.74 LCK (0.48) TSHRSMN1; SMN2MAPTGPR84FFAR1

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
EP-2678297-A2 CHRYSOPHAENTIN ANALOGS THAT INHIBIT FTSZ PROTEIN The U.S.A. as represented by the Secretary, Department of Health and Human Services (US) 2014-01-01 EP disclosed
EP-2539305-A2 CHRYSOPHAENTIN ANTIMICROBIAL COMPOUNDS THAT INHIBIT FTSZ PROTEIN The United States of America, as represented by The Secretary, Department of Health and Human Services (US) 2013-01-02 EP disclosed
WO-2012116254-A2 CHRYSOPHAENTIN ANALOGS THAT INHIBIT FTSZ PROTEIN THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2012-08-30 WO disclosed
WO-2011106630-A2 CHRYSOPHAENTIN ANTIMICROBIAL COMPOUNDS THAT INHIBIT FTSZ PROTEIN THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2011-09-01 WO disclosed