SCHEMBL6064565

SCHEMBL6064565

CCCC1CC[C](C)CC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
KMT2A Q03164 2/20 0.39
NOS3 P29474 8/20 0.38
NOS1 P29475 8/20 0.38
NOS2 P35228 8/20 0.38
CYP1A2 P05177 1/20 0.37
FYN P06241 1/20 0.35
CYP2C9 P11712 1/20 0.34
MAPT P10636 3/20 0.33
TLR4 O00206 2/20 0.33
MAPK1 P28482 2/20 0.33
LMNA P02545 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL10823067 0.85
SCHEMBL15124424 0.85 CYP1A2 (0.56) NOS3NOS1NOS2CYP1A2MAPT
SCHEMBL27560675 0.78
SCHEMBL28243584 0.77 ALDH1A1 (0.38) ALDH1A1KMT2ANOS3NOS1NOS2
SCHEMBL28029980 0.77 FYN (0.43) ALDH1A1KMT2ANOS3NOS1NOS2
SCHEMBL178387 0.77 ALDH1A1 (0.41) ALDH1A1KMT2ANOS3NOS1NOS2
SCHEMBL129995 0.76
SCHEMBL5691374 0.76 CYP1A2 (0.48) ALDH1A1KMT2ANOS3NOS1NOS2
SCHEMBL27581076 0.74 HTR1D (0.35) CYP1A2
SCHEMBL7900555 0.74 CYP1A2 (0.46) ALDH1A1KMT2ANOS3NOS1NOS2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6897163-B2 Method for depositing a low dielectric constant film APPLIED MATERIALS, INC. (US) 2005-05-24 US claimed
EP-2343356-B1 LUBRICATING OIL COMPOSITIONS IDEMITSU KOSAN CO (JP) 2015-08-05 EP disclosed
US-20130109789-A1 OLEFIN POLYMERIZATION CATALYST, PROCESS FOR PRODUCING OLEFIN POLYMER, POLYPROPYLENE RESIN COMPOSITION AND ARTICLE COMPRISING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-05-02 US disclosed
US-20060233973-A1 Cellulose ester film, manufacturing method thereof, optical film, polarizing plate and liquid crystal display KONICA MINOLTA OPTO, INC. 2006-10-19 US disclosed