SCHEMBL7562247

SCHEMBL7562247

C=CCC1=Cc2ccc(CC=C)cc2[CH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.44
ALDH1A1 P00352 5/20 0.43
GABRA1 P14867 5/20 0.43
GABRB2 P47870 5/20 0.43
MAPT P10636 4/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
CNR2 P34972 4/20 0.43
GAA P10253 3/20 0.43
PPARG P37231 2/20 0.43
PPARD Q03181 2/20 0.43
CNR1 P21554 2/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH2 P05091 1/20 0.43
AKR1B1 P15121 1/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PPARA Q07869 1/20 0.41
CYP3A4 P08684 4/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL6525255 0.93 XDH (0.44) XDHALDH1A1GABRA1GABRB2MAPT
SCHEMBL2956508 0.76 GABRA1 (0.31) GABRA1GABRB2
SCHEMBL4654938 0.75 MAPT (0.31) XDHALDH1A1GABRA1GABRB2MAPT
SCHEMBL4653119 0.75 GABRA1 (0.34) GABRA1GABRB2POLB
SCHEMBL9092587 0.74 XDH (0.52) XDHALDH1A1GABRA1GABRB2MAPT
SCHEMBL629049 0.72 GABRA1 (0.53) XDHALDH1A1GABRA1GABRB2MAPT
SCHEMBL4651620 0.68 GABRA1 (0.30) GABRA1GABRB2
SCHEMBL173301 0.67 ALDH1A1 (0.64) XDHALDH1A1GABRA1GABRB2MAPT
SCHEMBL3259762 0.66 XDH (0.58) XDHALDH1A1GABRA1GABRB2MAPT
SCHEMBL6273751 0.66 GABRA1 (0.50) XDHALDH1A1GABRA1GABRB2MAPT

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-0659756-B1 Metallocenes BASELL POLYOLEFINE GMBH (DE) 2002-04-03 EP disclosed
US-5741868-A Olefin polymerization process by using a substituted indenyl containing metallocene catalyst HOECHST AKTIENGESELLSCHAFT (DE) 1998-04-21 US disclosed
US-5543373-A OLEFIN POLYMERIZATION CATALYST HOECHST AG (DE) 1996-08-06 US disclosed
EP-0659756-A1 Metallocenes HOECHST AKTIENGESELLSCHAFT (DE) 1995-06-28 EP disclosed