SCHEMBL5554342

SCHEMBL5554342

CCCO[Si](OCCC)(OCCC)c1c(C)cc(C)cc1C

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 3/20 0.33
NOS3 P29474 2/20 0.33
NOS1 P29475 1/20 0.33
KDM4E B2RXH2 2/20 0.30
ALDH1A1 P00352 2/20 0.30
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
HPGD P15428 1/20 0.30
CRHR1 P34998 1/20 0.30
RAPGEF4 Q8WZA2 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
SCHEMBL5029870 0.88 NOS2 (0.37) NOS2NOS3NOS1KDM4EGAA
SCHEMBL2478476 0.83 NOS3 (0.33) NOS2NOS3NOS1KDM4EALDH1A1
SCHEMBL5027520 0.79 CYP1A2 (0.33) KDM4EALDH1A1MAPT
SCHEMBL3482484 0.77 NOS3 (0.31) NOS2NOS3NOS1
SCHEMBL5140507 0.75 TSHR (0.35) NOS2NOS1KDM4EALDH1A1LMNA
SCHEMBL5029804 0.73 NOS2 (0.37) NOS2NOS3NOS1KDM4EALDH1A1
SCHEMBL3108980 0.70 ACHE (0.39) NOS2NOS3NOS1KDM4EALDH1A1
SCHEMBL3339303 0.70 NLRP3 (0.33) KDM4EALDH1A1LMNAGAAMAPT
SCHEMBL13027164 0.69 ACHE (0.41) CRHR1
SCHEMBL106489 0.69 TSHR (0.35) ALDH1A1LMNAKMT2AHPGD

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-20070213204-A1 Ziegler-Natta catalyst with in situ-generated donor NOVOLEN TECHNOLOGY HOLDINGS C.V. 2007-09-13 US disclosed