SCHEMBL2359080

SCHEMBL2359080

C=C[C](CCCCCCC)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPK1 P28482 1/20 0.44
SPHK2 Q9NRA0 1/20 0.41
SPHK1 Q9NYA1 1/20 0.41
TSHR P16473 5/20 0.40
MAPT P10636 1/20 0.40
LMNA P02545 2/20 0.39
CES2 O00748 3/20 0.39
CES1 P23141 3/20 0.39
ZDHHC20 Q5W0Z9 1/20 0.38
ZDHHC2 Q9UIJ5 1/20 0.38
PPARG P37231 4/20 0.38
PPARD Q03181 4/20 0.38
PPARA Q07869 4/20 0.38
GPR84 Q9NQS5 3/20 0.38
HDAC11 Q96DB2 3/20 0.38
ALDH1A1 P00352 2/20 0.38
TDP1 Q9NUW8 2/20 0.38

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
SCHEMBL10493619 0.81
SCHEMBL8696398 0.72 TSHR (0.36) FAAHMEN1KMT2AMAPK1TSHR
SCHEMBL11125330 0.72 TSHR (0.46) FAAHMEN1KMT2ATSHRCES2
SCHEMBL28053085 0.72 TSHR (0.46) FAAHMEN1KMT2ATSHRCES2
SCHEMBL5791951 0.72 TSHR (0.46) FAAHMEN1KMT2ATSHRCES2
SCHEMBL10477517 0.72 TSHR (0.46) FAAHMEN1KMT2ATSHRCES2
SCHEMBL16030163 0.72 TSHR (0.46) FAAHMEN1KMT2ATSHRCES2
SCHEMBL23522274 0.70 TSHR (0.44) FAAHMEN1KMT2ATSHRCES2
SCHEMBL2563420 0.70 TSHR (0.44) FAAHMEN1KMT2ATSHRCES2
SCHEMBL20918222 0.70 TSHR (0.44) FAAHMEN1KMT2ATSHRCES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110313090-A1 Method For The Manufacture Of Long Chain Phthalate Dialkyl Ester Compositions EXXONMOBIL CHEMICAL PATENTS INC. 2011-12-22 US disclosed
EP-2352716-A1 IMPROVED METHOD FOR THE MANUFACTURE OF LONG CHAIN PHTHALATE DIALKYL ESTER COMPOSITIONS ExxonMobil Chemical Patents Inc. (US) 2011-08-10 EP disclosed
WO-2010057847-A1 IMPROVED METHOD FOR THE MANUFACTURE OF LONG CHAIN PHTHALATE DIALKYL ESTER COMPOSITIONS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2010-05-27 WO disclosed