SCHEMBL7599229

SCHEMBL7599229

CCC1=C2CCC3=C(CC)C(c4ccc5ccccc5c43)[Ti](C)(C)C1c1ccc3ccccc3c12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.33
DRD2 P14416 1/20 0.33
HTR1A P08908 1/20 0.33
HTR7 P34969 1/20 0.33
HTR2B P41595 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 3/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
MAPT P10636 2/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A3 Q01959 1/20 0.32
ALOX5 P09917 1/20 0.32
KDM1A O60341 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
POLB P06746 1/20 0.31
CYP2A6 P11509 2/20 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
SCHEMBL797107 0.84 SLC6A4 (0.32) SLC6A4DRD2HTR1AHTR7HTR2B
SCHEMBL7607532 0.79 SLC6A4 (0.33) SLC6A4DRD2HTR1AHTR7HTR2B
SCHEMBL797517 0.74 SLC6A4 (0.32) SLC6A4DRD2GAATDP1
SCHEMBL7598604 0.70 HTR2A (0.32) SLC6A4ALDH1A1KDM4EMAPK1MAPT
SCHEMBL7602764 0.68 ALDH1A1 (0.35) SLC6A4HTR1AHTR7HTR2BTMEM97
SCHEMBL5351880 0.68 ALDH1A1 (0.35) SLC6A4ALDH1A1KDM4ELMNAMAPK1
Hydrochloric Acid SCHEMBL6526039 0.68 ALDH1A1 (0.35) HTR1AHTR7HTR2BTMEM97SIGMAR1
SCHEMBL7600546 0.67
SCHEMBL797236 0.67 SLC6A4 (0.35) SLC6A4DRD2HTR1AHTR7HTR2B
SCHEMBL797580 0.67 SLC6A4 (0.33) SLC6A4DRD2HTR1AHTR7HTR2B

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