SCHEMBL8465972

SCHEMBL8465972

CCCCCOCC(COCCCCC)(CC(C)C)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.43
HTT P42858 2/20 0.36
MEN1 O00255 1/20 0.36
THRB P10828 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 1/20 0.36
USP2 O75604 1/20 0.36
SPHK1 Q9NYA1 1/20 0.36
CES2 O00748 2/20 0.35
PLA2G2C Q5R387 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PRKD3 O94806 1/20 0.32
PRKCG P05129 1/20 0.32
PRKCB P05771 1/20 0.32
PRKCA P17252 1/20 0.32
PRKCH P24723 1/20 0.32
PRKCI P41743 1/20 0.32
PRKCE Q02156 1/20 0.32
PRKCQ Q04759 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
SCHEMBL15062350 0.77 TSHR (0.33) CES1TSHR
SCHEMBL1562647 0.76
SCHEMBL29067135 0.76 SPHK2 (0.31) SPHK1
SCHEMBL812245 0.75 TSHR (0.38) CES1HTTMEN1THRBKMT2A
SCHEMBL13287471 0.74 CES1 (0.46) CES1HTTMEN1THRBKMT2A
SCHEMBL8464731 0.74 CYP1A2 (0.43) CES1SPHK1ALDH1A1TDP1
SCHEMBL10938898 0.73 TSHR (0.37) CES1SPHK1TSHR
SCHEMBL14778162 0.72 TSHR (0.36) THRBCES2TSHR
SCHEMBL31325996 0.71 CES1 (0.42) CES1HTTMEN1THRBKMT2A
Isobutane SCHEMBL27968242 0.70 HTT (0.56) CES1HTTMEN1THRBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0719798-B1 Process for the (co)polymerization of ethylene MONTELL TECHNOLOGY COMPANY BV (NL) 1999-07-14 EP claimed
EP-0719800-A1 Catalysts for the (co)polymerization of ethylene Montell Technology Company bv (NL) 1996-07-03 EP claimed
EP-0719798-A1 Process for the (co)polymerization of ethylene Montell Technology Company bv (NL) 1996-07-03 EP claimed
EP-0719798-B1 Process for the (co)polymerization of ethylene MONTELL TECHNOLOGY COMPANY BV (NL) 1999-07-14 EP disclosed
EP-0719800-A1 Catalysts for the (co)polymerization of ethylene Montell Technology Company bv (NL) 1996-07-03 EP disclosed
EP-0719798-A1 Process for the (co)polymerization of ethylene Montell Technology Company bv (NL) 1996-07-03 EP disclosed