SCHEMBL4451697

SCHEMBL4451697

CCCOP(=O)(OCCC)c1cccc(CC)c1CC

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 4/20 0.35
LMNA P02545 3/20 0.34
GAA P10253 2/20 0.34
HPGD P15428 1/20 0.34
GABRA1 P14867 2/20 0.34
GABRB2 P47870 2/20 0.34
POLB P06746 1/20 0.33
THRB P10828 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NR1I2 O75469 1/20 0.32
HIF1A Q16665 1/20 0.31

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
SCHEMBL4452190 0.90 CYP3A4 (0.40) MEN1KMT2AHIF1A
SCHEMBL4451733 0.86 MEN1 (0.50) MEN1KMT2AALDH1A1LMNAHPGD
SCHEMBL4462717 0.84 MEN1 (0.50) MEN1KMT2AALDH1A1LMNAGAA
SCHEMBL4454043 0.84 MEN1 (0.40) MEN1KMT2AALDH1A1LMNAGAA
SCHEMBL4451699 0.84 PLA2G2D (0.41) MEN1KMT2AALDH1A1LMNAGABRA1
SCHEMBL4451487 0.81 MEN1 (0.38) MEN1KMT2AHIF1A
SCHEMBL4448727 0.81 GABRA1 (0.38) MEN1KMT2AGABRA1GABRB2L3MBTL1
SCHEMBL4446468 0.78 MEN1 (0.43) MEN1KMT2AALDH1A1LMNAGAA
SCHEMBL4458074 0.78 MEN1 (0.47) MEN1KMT2AALDH1A1LMNAGAA
SCHEMBL4460847 0.75 L3MBTL1 (0.40) MEN1KMT2AALDH1A1HPGDGABRA1

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