SCHEMBL2393951

SCHEMBL2393951

C=CC(=O)OCCCC(CCCCCCCCCCCCCCC)C(C)C

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.62
HPGD P15428 1/20 0.62
ALDH1A1 P00352 3/20 0.53
CYP3A4 P08684 1/20 0.53
HCAR2 Q8TDS4 3/20 0.44
ATM Q13315 1/20 0.43
ABCB1 P08183 1/20 0.43
TP53 P04637 2/20 0.41
HIF1A Q16665 2/20 0.41
HSD17B10 Q99714 1/20 0.41
THRB P10828 2/20 0.39
THRA P10827 1/20 0.39
GPR84 Q9NQS5 2/20 0.39
NAAA Q02083 1/20 0.39

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
SCHEMBL652270 0.97 TSHR (0.62) TSHRHPGDALDH1A1CYP3A4HCAR2
Acrylic Acid SCHEMBL22471675 0.93 TSHR (0.57) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL13898696 0.89 TSHR (0.68) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL652535 0.88 TSHR (0.61) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL17851201 0.86 TSHR (0.68) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL17851202 0.86 TSHR (0.68) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL18134828 0.86 TSHR (0.68) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL17851209 0.86 TSHR (0.68) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL18134829 0.86 TSHR (0.68) TSHRHPGDALDH1A1CYP3A4HCAR2
SCHEMBL17851207 0.86 TSHR (0.68) TSHRHPGDALDH1A1CYP3A4HCAR2

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-8012917-B2 Crosslinked polymer THE LUBRIZOL CORPORATION (US) 2011-09-06 US disclosed
US-20100004149-A1 Crosslinked Polymer THE LUBRIZOL CORPORATION (US) 2010-01-07 US disclosed
EP-2087083-A2 CROSSLINKED POLYMER The Lubrizol Corporation (US) 2009-08-12 EP disclosed
WO-2008058108-A2 CROSSLINKED POLYMER THE LUBRIZOL CORPORATION (US) 2008-05-15 WO disclosed