SCHEMBL4451699

SCHEMBL4451699

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLA2G2D Q9UNK4 2/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
GABRA1 P14867 2/20 0.36
GABRB2 P47870 2/20 0.36
NR1I2 O75469 1/20 0.33
HIF1A Q16665 1/20 0.33
HTR1A P08908 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
GGPS1 O95749 1/20 0.32
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.32
PTK2B Q14289 1/20 0.32
LMNA P02545 1/20 0.32
THRB P10828 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL4452194 0.91 PLA2G2D (0.48) PLA2G2DALDH1A1HIF1A
SCHEMBL4451735 0.87 ALDH1A1 (0.50) PLA2G2DALDH1A1MEN1KMT2AGABRA1
SCHEMBL4454045 0.85 PLA2G2D (0.40) PLA2G2DALDH1A1MEN1KMT2AHIF1A
SCHEMBL4451697 0.84 MEN1 (0.42) ALDH1A1MEN1KMT2AGABRA1GABRB2
SCHEMBL4451489 0.82 PLA2G2D (0.44) PLA2G2DALDH1A1MEN1KMT2AHIF1A
SCHEMBL4448728 0.82 GABRA1 (0.39) PLA2G2DALDH1A1MEN1KMT2AGABRA1
SCHEMBL11039468 0.81 GABRA1 (0.38) PLA2G2DALDH1A1MEN1KMT2AGABRA1
SCHEMBL1537947 0.78 GABRA1 (0.45) ALDH1A1GABRA1GABRB2HTR1ATAAR1
SCHEMBL4460850 0.77 ALDH1A1 (0.40) ALDH1A1GABRA1GABRB2HIF1ANPC1
SCHEMBL4454579 0.77 SRC (0.44) ALDH1A1L3MBTL1

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