SCHEMBL7601191

SCHEMBL7601191

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

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.35
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
ALOX5 P09917 1/20 0.31
MEN1 O00255 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HTR1A P08908 1/20 0.30
HTR7 P34969 1/20 0.30
HTR2B P41595 1/20 0.30
TMEM97 Q5BJF2 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
SLC6A4 P31645 2/20 0.30
DRD2 P14416 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
SCHEMBL796650 0.83 KCNH2 (0.32) MAPT
SCHEMBL7599708 0.80 KDM4E (0.31) MAPTALDH1A1KDM4ELMNAMAPK1
SCHEMBL796926 0.78 KDM4E (0.31) MAPTALDH1A1KDM4ELMNAMAPK1
SCHEMBL7597805 0.76 KDM4E (0.31) KDM4E
SCHEMBL797210 0.75 GAA (0.32)
SCHEMBL7600546 0.71
SCHEMBL7603280 0.70 GAA (0.32)
SCHEMBL7598604 0.69 HTR2A (0.32) MAPTALDH1A1KDM4EMAPK1MEN1
SCHEMBL7597816 0.68 KDM4E (0.32) ALDH1A1KDM4ELMNAMAPK1
Hydrochloric Acid SCHEMBL4312051 0.68 KDM4E (0.33) KDM4EHTR7

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 1 patent. 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