SCHEMBL27619484

SCHEMBL27619484

CCCCOC(=O)/C(=C\C(=O)O)C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 3/20 0.41
ATM Q13315 1/20 0.39
NAAA Q02083 2/20 0.38
ALDH1A1 P00352 2/20 0.37
TSHR P16473 3/20 0.37
HPGD P15428 1/20 0.37
EPHX2 P34913 1/20 0.35
RAB9A P51151 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL5612673 0.88 ATM (0.46) HCAR2ATMNAAAALDH1A1TSHR
SCHEMBL5612679 0.88 ATM (0.46) HCAR2ATMNAAAALDH1A1TSHR
SCHEMBL27619572 0.84 ALDH1A1 (0.44) ATMALDH1A1HPGD
SCHEMBL27638615 0.83 ALDH1A1 (0.41) HCAR2ALDH1A1RAB9A
SCHEMBL28166491 0.82 TSHR (0.44) HCAR2ATMNAAATSHREPHX2
SCHEMBL9364396 0.82 TSHR (0.42) HCAR2NAAATSHREPHX2
SCHEMBL9364395 0.82 TSHR (0.42) HCAR2NAAATSHREPHX2
SCHEMBL9709551 0.80
SCHEMBL4729753 0.80 NAAA (0.40) HCAR2NAAAEPHX2
SCHEMBL27834866 0.79 MEN1 (0.43) ALDH1A1TSHR

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
CN-100415778-C Components and catalysts for the polymerization of olefins BASELL POLIOLEFINE S P A (IT) 2008-09-03 CN disclosed
CN-1714105-A Components and catalysts for the polymerization of olefins BASELL POLIOLEFINE S P A (IT) 2005-12-28 CN disclosed