SCHEMBL4458102

SCHEMBL4458102

CCc1ccccc1P(=O)(O)Oc1cccc(CC)c1CC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
POLB P06746 3/20 0.37
NPC1 O15118 2/20 0.37
PTK2B Q14289 2/20 0.37
RAB9A P51151 1/20 0.36
ALPG P10696 1/20 0.36
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
INPPL1 O15357 1/20 0.35
INPP5B P32019 1/20 0.35
INPP5A Q14642 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HIF1A Q16665 1/20 0.35
HTT P42858 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 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
SCHEMBL4451171 0.92 ALDH1A1 (0.37) ALDH1A1POLBNPC1PTK2BRAB9A
SCHEMBL4454064 0.90 ALDH1A1 (0.38) ALDH1A1POLBNPC1PTK2BRAB9A
SCHEMBL4451594 0.89 ALOX5 (0.39) ALDH1A1POLBNPC1PTK2BHIF1A
SCHEMBL4460850 0.88 ALDH1A1 (0.40) ALDH1A1POLBNPC1PTK2BRAB9A
SCHEMBL4452087 0.86 LTB4R (0.41) ALDH1A1POLBNPC1PTK2BRAB9A
SCHEMBL4455464 0.85 HTT (0.42) ALDH1A1POLBGABRA1GABRB2INPPL1
SCHEMBL4458097 0.84 L3MBTL1 (0.37) ALDH1A1POLBNPC1PTK2BGABRA1
SCHEMBL4448730 0.84 ALDH1A1 (0.38) ALDH1A1POLBNPC1PTK2BRAB9A
SCHEMBL4452106 0.84 LTB4R (0.40) ALDH1A1POLBNPC1PTK2BHIF1A
SCHEMBL4449871 0.83 LTB4R (0.39) ALDH1A1POLBNPC1PTK2BRAB9A

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