SCHEMBL4454043

SCHEMBL4454043

CCCOP(=O)(OCCC)c1cccc(CCC)c1CCC

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LTB4R Q15722 1/20 0.34
LTB4R2 Q9NPC1 1/20 0.34
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
GAA P10253 2/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL4458164 0.91 CYP3A4 (0.38) LTB4RLTB4R2
SCHEMBL4452198 0.89 MEN1 (0.47) MEN1KMT2ALTB4RLTB4R2ALDH1A1
SCHEMBL4451487 0.88 MEN1 (0.38) MEN1KMT2ALTB4RLTB4R2
SCHEMBL4458074 0.85 MEN1 (0.47) MEN1KMT2AALDH1A1LMNAGAA
SCHEMBL4454045 0.85 PLA2G2D (0.40) MEN1KMT2ALTB4RLTB4R2ALDH1A1
SCHEMBL4462486 0.84 ELANE (0.34) MEN1KMT2ALTB4RLTB4R2ALDH1A1
SCHEMBL4451697 0.84 MEN1 (0.42) MEN1KMT2AALDH1A1LMNAGAA
SCHEMBL4448581 0.82 CYP3A4 (0.38) GAA
SCHEMBL4455891 0.79 L3MBTL1 (0.42) MEN1KMT2ALTB4RLTB4R2
SCHEMBL4460502 0.79 LTB4R (0.41) LTB4RLTB4R2

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