SCHEMBL8960053

SCHEMBL8960053

C=C=C1OCc2cc(CC)ccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 11/20 0.36
KCNH2 Q12809 10/20 0.36
MAPT P10636 3/20 0.35
GAA P10253 1/20 0.35
PARP1 P09874 1/20 0.35
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TRPA1 O75762 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
MAOA P21397 2/20 0.31
MAOB P27338 2/20 0.31
KDM4E B2RXH2 1/20 0.31
CYP1A2 P05177 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
SCHEMBL8960183 0.88 KCNJ1 (0.40) KCNJ1KCNH2HTR2AHTR2CHTR2B
SCHEMBL8959964 0.85 KCNJ1 (0.39) KCNJ1KCNH2NPC1MAPK1RAB9A
SCHEMBL8960097 0.84 GPR3 (0.39) KCNJ1KCNH2ALDH1A1LMNAHTR2A
SCHEMBL8960004 0.83 GPR3 (0.41) KCNJ1KCNH2ALDH1A1LMNAHTR2A
SCHEMBL8959913 0.83 GPR3 (0.41) KCNJ1KCNH2ALDH1A1LMNAHTR2A
SCHEMBL8959786 0.83 GPR3 (0.41) KCNJ1KCNH2ALDH1A1LMNAHTR2A
SCHEMBL8959979 0.83 GPR3 (0.41) KCNJ1KCNH2ALDH1A1LMNAHTR2A
SCHEMBL8960101 0.83 GPR3 (0.41) KCNJ1KCNH2ALDH1A1LMNAHTR2A
SCHEMBL8960023 0.83 GPR3 (0.41) KCNJ1KCNH2ALDH1A1LMNAHTR2A
SCHEMBL8960014 0.78 METAP1 (0.39) MAPTGAAALDH1A1LMNARAB9A

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-5510456-A Bridged cyclic arleneethylene polymers SHOWA DENKO K. K. (JP) 1996-04-23 US disclosed