SCHEMBL12818013

SCHEMBL12818013

C1=CCC2CCC(Oc3ccccc3)C2=C1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.36
SLC6A3 Q01959 4/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
HRH1 P35367 1/20 0.35
SLC6A4 P31645 3/20 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
SCHEMBL25317454 0.71 SLC18A3 (0.33) DDB1CRBN
SCHEMBL28639482 0.69
SCHEMBL10320042 0.68
SCHEMBL12815045 0.68 CYP3A4 (0.32)
SCHEMBL10320087 0.67 SLC6A2 (0.39) SLC6A2SLC6A3HRH1SLC6A4
Hydrochloric Acid SCHEMBL6470006 0.66
SCHEMBL10317513 0.66 SLC6A4 (0.43) SLC6A2SLC6A3SLC6A4
SCHEMBL16458605 0.66 CYP3A4 (0.30)
Hydrochloric Acid SCHEMBL7926515 0.65
Hydrochloric Acid SCHEMBL7935412 0.65

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2691405-A1 METHOD FOR PRODUCING THE TRANSITION METAL COMPLEX, CATALYST FOR TRIMERIZATION, METHOD FOR PRODUCING 1-HEXENE, METHOD FOR PRODUCING THE SUBSTITUTED CYCLOPENTADIENE COMPOUND (2) Sumitomo Chemical Company Limited (JP) 2014-02-05 EP disclosed
WO-2012133925-A1 METHOD FOR PRODUCING THE TRANSITION METAL COMPLEX, CATALYST FOR TRIMERIZATION, METHOD FOR PRODUCING 1-HEXENE, METHOD FOR PRODUCING THE SUBSTITUTED CYCLOPENTADIENE COMPOUND (2) SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-04 WO disclosed