SCHEMBL8425575

SCHEMBL8425575

C1=Cc2ccccc2[C]1C/C=C/c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.39
PAM P19021 1/20 0.39
PTGER4 P35408 1/20 0.37
PTGER3 P43115 1/20 0.37
PTGER2 P43116 1/20 0.37
HTR2A P28223 3/20 0.37
ALDH1A1 P00352 3/20 0.36
ALDH3A1 P30838 1/20 0.36
RCE1 Q9Y256 1/20 0.36
MAOB P27338 1/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2C P18825 1/20 0.35
SLC6A4 P31645 1/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
RECQL P46063 1/20 0.35
KMT2A Q03164 1/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL8427622 0.69 IDO1 (0.40) IDO1PAMPTGER4PTGER3PTGER2
SCHEMBL2034451 0.69 IDO1 (0.47) IDO1PAMPTGER4PTGER3PTGER2
SCHEMBL2034448 0.69 IDO1 (0.47) IDO1PAMPTGER4PTGER3PTGER2
SCHEMBL163963 0.68 MAOB (0.67) IDO1PAMPTGER4PTGER3PTGER2
SCHEMBL1892917 0.68 MAOB (0.67) IDO1PAMPTGER4PTGER3PTGER2
SCHEMBL4256257 0.68 MAOB (0.67) IDO1PAMPTGER4PTGER3PTGER2
SCHEMBL216992 0.67 CALM1 (0.46) IDO1HTR2AALDH1A1MAOBADRA2C
SCHEMBL10599724 0.67 PTGER4 (0.50) IDO1PAMPTGER4PTGER3PTGER2
SCHEMBL10599731 0.67 PTGER4 (0.50) IDO1PAMPTGER4PTGER3PTGER2
SCHEMBL4863423 0.66 IDO1 (0.58) IDO1PAMHTR2AALDH1A1MAOB

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
US-5912311-A Olefin polymerization method comprising allyl-cycloalkadienyl dianions as catalyst precursors UNIVATION TECHNOLOGIES, LLC 1999-06-15 US disclosed
US-5866497-A Catalyst for the production of olefin polymers UNIVATION TECHNOLOGIES LLC (US) 1999-02-02 US disclosed
US-5700748-A Catalyst for the production of olefin polymers comprising a bridging allyl-cyclodienyl ligand on a metal atom UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1997-12-23 US disclosed
EP-0771777-A1 Catalyst precursor for the production of olefin polymers UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1997-05-07 EP disclosed