SCHEMBL7599708

SCHEMBL7599708

CCC1=C2c3c(ccc4ccccc34)C1[Zr](C)(C)C1C(CC)=C(c3c1ccc1ccccc31)[Si]2(C)C

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
MAPT P10636 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2A6 P11509 1/20 0.30
TSHR P16473 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
SCHEMBL796926 0.88 KDM4E (0.31) KDM4EALDH1A1LMNAMAPK1MAPT
SCHEMBL7597816 0.87 KDM4E (0.32) KDM4EALDH1A1LMNAMAPK1
SCHEMBL7599705 0.86 KDM4E (0.32) KDM4EALDH1A1LMNAMAPK1
SCHEMBL797210 0.84 GAA (0.32)
SCHEMBL7607532 0.80 SLC6A4 (0.33) KDM4EALDH1A1LMNAMAPK1MAPT
SCHEMBL7602562 0.78 HTR1A (0.34) KDM4EALDH1A1LMNAMAPK1MAPT
SCHEMBL5353401 0.77
SCHEMBL7597611 0.75
SCHEMBL796650 0.74 KCNH2 (0.32) MAPT
SCHEMBL6895641 0.74

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