SCHEMBL17412781

SCHEMBL17412781

CCCCCCCCC(CCCCCC)CCCCN1C(=O)c2c(Br)sc(Br)c2C1=O

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.40
PTGS2 P35354 3/20 0.40
MGLL Q99685 3/20 0.40
FAAH O00519 1/20 0.40
CDC25A P30304 10/20 0.35
CES1 P23141 2/20 0.35
CNR1 P21554 1/20 0.35
ALDH1A1 P00352 1/20 0.33
ALDH2 P05091 1/20 0.33
ALDH3A1 P30838 1/20 0.33
LMNA P02545 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
SCHEMBL16594677 0.91 MGLL (0.47) PTGS1PTGS2MGLLFAAHCDC25A
SCHEMBL15979461 0.91 MGLL (0.47) PTGS1PTGS2MGLLFAAHCDC25A
SCHEMBL2053670 0.91 MGLL (0.47) PTGS1PTGS2MGLLFAAHCDC25A
SCHEMBL1041919 0.91 MGLL (0.47) PTGS1PTGS2MGLLFAAHCDC25A
SCHEMBL13096354 0.91 MGLL (0.47) PTGS1PTGS2MGLLFAAHCDC25A
SCHEMBL15979460 0.91 MGLL (0.47) PTGS1PTGS2MGLLFAAHCDC25A
SCHEMBL25268578 0.87 LMNA (0.34) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL18315217 0.87 LMNA (0.34) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL12004179 0.87 LMNA (0.34) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL12700061 0.85 KDM4E (0.33) PTGS1PTGS2MGLLFAAHALDH1A1

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
WO-2016003097-A1 ORGANIC SEMICONDUCTOR COMPOUND, METHOD FOR PRODUCING SAME, AND ORGANIC ELECTRONIC ELEMENT AND ORGANIC SOLAR CELL ELEMENT COMPRISING SAME 부산대학교 산학협력단 2016-01-07 WO disclosed