SCHEMBL8775938

SCHEMBL8775938

C1=CCC(C2(c3cccc4c3Cc3ccccc3-4)CCC(C3=CC=CC3)(c3cccc4c3Cc3ccccc3-4)CC2)=C1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
PGR P06401 1/20 0.33
HTR7 P34969 1/20 0.32
HTR2B P41595 1/20 0.32
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
SRD5A2 P31213 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL3373312 0.95 PNMT (0.36) PNMTNPC1RAB9APGRHTR7
SCHEMBL8998590 0.93 PNMT (0.35) PNMTNPC1RAB9APGRHTR7
SCHEMBL6469960 0.93 PNMT (0.35) PNMTNPC1RAB9APGRHTR7
Hydrochloric Acid SCHEMBL6557621 0.92 PNMT (0.35) PNMTNPC1RAB9APGRDRD2
SCHEMBL8776111 0.88 PNMT (0.35) PNMTNPC1RAB9APGRHTR7
SCHEMBL7573525 0.74 TDP2 (0.39) PGR
Hydrochloric Acid SCHEMBL8537424 0.71
SCHEMBL27348144 0.71 PNMT (0.45) PNMTNPC1RAB9APGRHTR7
SCHEMBL28286932 0.70 PNMT (0.44) PNMTNPC1RAB9APGRHTR7
SCHEMBL28220071 0.70 PNMT (0.44) PNMTNPC1RAB9APGRHTR7

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-0528041-B1 NOVEL TRANSITION METAL COMPOUND AND PROCESS FOR POLYMERIZING OLEFIN BY USING THE SAME MITSUI TOATSU CHEMICALS (JP) 1997-11-19 EP disclosed
US-5439994-A Preparing polymers with wide molecular weight distribution MITSUI TOATSU CHEMICALS, INC. (JP) 1995-08-08 US disclosed
US-5359102-A Having cyclopentadienyl, indenyl, dicyclopentadienyl, and or fluorenyl group or theier derivatives as a legand used together with cocatalyst aluminoxane MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1994-10-25 US disclosed
EP-0528041-A1 NOVEL TRANSITION METAL COMPOUND AND PROCESS FOR POLYMERIZING OLEFIN BY USING THE SAME MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-02-24 EP disclosed