SCHEMBL4448583

SCHEMBL4448583

CCCCOP(=O)(O)c1cccc(CCCC)c1CCCC

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PLA2G2D Q9UNK4 2/20 0.46
ALDH1A1 P00352 1/20 0.38
HIF1A Q16665 1/20 0.38
GAA P10253 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL4451489 0.94 PLA2G2D (0.44) PLA2G2DALDH1A1HIF1A
SCHEMBL4458166 0.92 PLA2G2D (0.46) PLA2G2DALDH1A1HIF1ACYP3A4
SCHEMBL4460867 0.90 ALDH1A1 (0.45) PLA2G2DALDH1A1
SCHEMBL4452194 0.86 PLA2G2D (0.48) PLA2G2DALDH1A1HIF1ACYP3A4
SCHEMBL4460813 0.86 ALOX5 (0.40) PLA2G2DHIF1A
SCHEMBL4448581 0.86 CYP3A4 (0.38) HIF1AGAACYP3A4
SCHEMBL4454045 0.83 PLA2G2D (0.40) PLA2G2DALDH1A1HIF1A
SCHEMBL4454781 0.81 THRA (0.40) ALDH1A1HIF1A
SCHEMBL4454058 0.81 SRC (0.39) HIF1A
SCHEMBL4458041 0.80 ALOX5 (0.33) PLA2G2DALDH1A1HIF1A

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
US-7612148-B2 Hydrogenation catalyst composition and method for hydrogenation of conjugated diene polymer TSRC CORPORATION (TW) 2009-11-03 US disclosed
US-20080146733-A1 Hydrogenation catalyst composition and method for hydrogenation of conjugated diene polymer TSRC CORPORATION (TW) 2008-06-19 US disclosed