SCHEMBL2780650

SCHEMBL2780650

C=CCCCCC=CC(C)CC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
ALDH1A1 P00352 3/20 0.42
MAPT P10636 4/20 0.41
LMNA P02545 3/20 0.41
CYP3A4 P08684 2/20 0.41
USP2 O75604 1/20 0.41
RECQL P46063 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PTGS1 P23219 1/20 0.39
PPARG P37231 1/20 0.39
OPRK1 P41145 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
TRPA1 O75762 2/20 0.33
GMNN O75496 2/20 0.31
GLA P06280 2/20 0.31
POLB P06746 2/20 0.31
THRB P10828 2/20 0.31
CETP P11597 2/20 0.31

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
SCHEMBL11348492 0.96 TSHR (0.42) TSHRALDH1A1MAPTLMNACYP3A4
SCHEMBL15189747 0.91 TSHR (0.42) TSHRALDH1A1MAPTLMNACYP3A4
SCHEMBL5375196 0.85 TSHR (0.48) TSHRALDH1A1MAPTLMNACYP3A4
SCHEMBL5138549 0.84 PTGS1 (0.33) TSHRMAPTLMNACYP3A4USP2
SCHEMBL2005039 0.82 MEN1 (0.47) TSHRALDH1A1MAPTLMNACYP3A4
SCHEMBL2005037 0.82 MEN1 (0.47) TSHRALDH1A1MAPTLMNACYP3A4
SCHEMBL16339407 0.81 TSHR (0.46) TSHRALDH1A1MAPTLMNACYP3A4
SCHEMBL16339406 0.81 TSHR (0.46) TSHRALDH1A1MAPTLMNACYP3A4
SCHEMBL2118190 0.80 MEN1 (0.33) CYP3A4PTGS1PPARGOPRK1ABCG2
SCHEMBL2008602 0.80 MEN1 (0.50) ALDH1A1MAPTLMNACYP3A4PTGS1

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
EP-2231779-A1 IN-LINE PROCESS TO PRODUCE PELLET-STABLE POLYOLEFINS ExxonMobil Research and Engineering Company (US) 2010-09-29 EP disclosed
WO-2009082463-A1 IN-LINE PROCESS TO PRODUCE PELLET-STABLE POLYOLEFINS EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2009-07-02 WO disclosed