SCHEMBL7598604

SCHEMBL7598604

CCC1=C(c2cccc3ccccc23)c2c3cccc2C(C)(C)c2cccc4c2C(c2cccc5ccccc25)=C(CC)C4[Ti](C)(C)C13

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.32
CYP2D6 P10635 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
KDM4E B2RXH2 3/20 0.30
MAPT P10636 2/20 0.30
MAPK1 P28482 2/20 0.30
TDP2 O95551 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
ALOX12 P18054 1/20 0.30
CASP3 P42574 1/20 0.30
HTT P42858 1/20 0.30
GALK1 P51570 1/20 0.30
BLM P54132 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
SENP8 Q96LD8 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
SENP6 Q9GZR1 1/20 0.30

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
SCHEMBL797232 0.87 CNR1 (0.30)
SCHEMBL7599726 0.85 DHFR (0.32) HTR2ASLC6A2SLC6A4SLC6A3KDM4E
SCHEMBL7607482 0.82 HTR2A (0.31) HTR2ACYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL7597805 0.82 KDM4E (0.31) KDM4E
SCHEMBL7597071 0.78
SCHEMBL7600546 0.77
SCHEMBL797420 0.77 TLR8 (0.30)
SCHEMBL7601455 0.71 DHFR (0.32) HTR2ASLC6A2SLC6A4SLC6A3KDM4E
Hydrochloric Acid SCHEMBL5616525 0.71 DHFR (0.35) HTR2ASLC6A2SLC6A4SLC6A3KDM4E
SCHEMBL7599229 0.70 SLC6A4 (0.33) SLC6A2SLC6A4SLC6A3KDM4EMAPT

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