SCHEMBL7597779

SCHEMBL7597779

CC1=C2c3ccccc3C1[Zr](C)(C)C1C(C)=C(c3ccccc31)C2(C)C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.33
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
CYP2C9 P11712 1/20 0.31
ALOX15 P16050 1/20 0.31
CASP1 P29466 1/20 0.31
CYP2C19 P33261 1/20 0.31
RECQL P46063 1/20 0.31
BLM P54132 1/20 0.31
CASP7 P55210 1/20 0.31
KMT5A Q9NQR1 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL7602972 0.80 PDCD1 (0.34) ALDH1A1
SCHEMBL7602958 0.78 HTT (0.32) HTR2A
SCHEMBL7602766 0.73 ADRA2C (0.33) GPR3POLB
SCHEMBL7711841 0.73 GPR3 (0.31) GPR3POLB
SCHEMBL6895735 0.71 ADRA2C (0.32) GPR3POLB
SCHEMBL7603394 0.71 IDO1 (0.33) IDO1MEN1KMT2AALDH1A1KDM4E
SCHEMBL5347817 0.71 PBRM1 (0.33) GPR3POLB
SCHEMBL7600798 0.68
SCHEMBL5353131 0.67
SCHEMBL797540 0.66 BCHE (0.35)

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
US-6410665-B1 POLYMERIZATION COORDINATION CATALYST FOR ALPHA-OLEFIN BASELL POLYOLEFINE GMBH (DE) 2002-06-25 US claimed
US-6410665-B1 POLYMERIZATION COORDINATION CATALYST FOR ALPHA-OLEFIN BASELL POLYOLEFINE GMBH (DE) 2002-06-25 US disclosed