SCHEMBL4449103

SCHEMBL4449103

CCCCCCCCCCCCN1CC=CC=C1Br

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.34
PTGS2 P35354 3/20 0.34
MGLL Q99685 2/20 0.34
FAAH O00519 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
GBA1 P04062 1/20 0.33
HTT P42858 5/20 0.33
EEF2K O00418 1/20 0.32
NPC1 O15118 5/20 0.32
RAB9A P51151 5/20 0.32
GALR3 O60755 2/20 0.32
POLB P06746 2/20 0.32
ATM Q13315 2/20 0.32
MAPK1 P28482 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
LMNA P02545 2/20 0.32
SMN1; SMN2 Q16637 2/20 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
SCHEMBL11221809 1.00 PTGS1 (0.34) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL3671362 0.93 MEN1 (0.33)
SCHEMBL15285542 0.83 PTGS1 (0.34) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL15285561 0.81 ALDH1A1 (0.32) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL10455342 0.79 KDM4E (0.36) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL7939135 0.79 KDM4E (0.36) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL3154901 0.79 HTT (0.35) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL1348935 0.79 KDM4E (0.36) PTGS1PTGS2MGLLFAAHALDH1A1
Bromide SCHEMBL10591541 0.77 ALDH1A1 (0.35) PTGS1PTGS2MGLLFAAHALDH1A1
SCHEMBL11198589 0.77 GBA1 (0.35) 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
US-7605205-B2 Nanocomposite compositions and processes for making the same EXXONMOBIL CHEMICAL PATENTS, INC. (US) 2009-10-20 US claimed