SCHEMBL5603065

SCHEMBL5603065

C=[Ti](NC(=O)C1CC2CCC1C2)C1=C(C)C(C)=C(C)C1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 1/20 0.43
KCNQ2 O43526 1/20 0.43
KCNQ4 P56696 1/20 0.43
KCNQ5 Q9NR82 1/20 0.43
POLB P06746 1/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
HPGD P15428 3/20 0.38
HSD17B10 Q99714 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
GFER P55789 1/20 0.38
HTT P42858 2/20 0.37
GAA P10253 1/20 0.37
THRB P10828 1/20 0.37
KDM4E B2RXH2 1/20 0.36

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
Hydrochloric Acid SCHEMBL2116929 0.72 KCNQ3 (0.41) KCNQ3KCNQ2KCNQ4KCNQ5POLB
Hydrochloric Acid SCHEMBL2117272 0.70 KCNQ3 (0.41) KCNQ3KCNQ2KCNQ4KCNQ5POLB
SCHEMBL8857838 0.69 P2RX7 (0.36) P2RX7
Hydrochloric Acid SCHEMBL5855502 0.69 KCNQ3 (0.41) KCNQ3KCNQ2KCNQ4KCNQ5POLB
Hydrochloric Acid SCHEMBL5853594 0.68 KCNQ3 (0.43) KCNQ3KCNQ2KCNQ4KCNQ5POLB
Hydrochloric Acid SCHEMBL2114739 0.68 KCNQ3 (0.40) KCNQ3KCNQ2KCNQ4KCNQ5POLB
SCHEMBL8857485 0.67 CYP3A4 (0.38) POLBNPC1ALDH1A1HTTGAA
SCHEMBL8857547 0.66 THRB (0.34) ALDH1A1THRB
SCHEMBL13597733 0.65 POLB (0.63) KCNQ3KCNQ2KCNQ4KCNQ5POLB
Methyl Alcohol SCHEMBL8161587 0.63

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-7265193-B2 Polymerization process EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-09-04 US claimed
US-20050137368-A1 Radiation tolerant copolymers EXXONMOBIL CHEMICAL PATENTS INC. 2005-06-23 US disclosed