SCHEMBL4453644

SCHEMBL4453644

CCCc1ccccc1P(=O)(O)Oc1cccc(C)c1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.47
ALDH1A1 P00352 3/20 0.36
MAPK1 P28482 2/20 0.35
GAA P10253 2/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HIF1A Q16665 1/20 0.34
LTB4R Q15722 1/20 0.33
LTB4R2 Q9NPC1 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
ELANE P08246 1/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 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
SCHEMBL4458049 0.92 MAPT (0.44) MAPTALDH1A1MAPK1GAALMNA
SCHEMBL4451713 0.91 MAPT (0.50) MAPTALDH1A1MAPK1GAALMNA
SCHEMBL4455052 0.90 MAPT (0.40) MAPTALDH1A1MAPK1GAALMNA
SCHEMBL4458071 0.84 LTB4R (0.42) ALDH1A1HIF1ALTB4RLTB4R2ELANE
SCHEMBL4451201 0.83 LTB4R (0.37) MAPTALDH1A1HIF1ALTB4RLTB4R2
SCHEMBL4454710 0.83 LTB4R (0.40) MAPTALDH1A1HIF1ALTB4RLTB4R2
SCHEMBL4131180 0.83 MAPT (0.57) MAPTALDH1A1MAPK1GAALMNA
SCHEMBL4451171 0.83 ALDH1A1 (0.37) MAPTALDH1A1L3MBTL1HIF1ALTB4R
SCHEMBL4452100 0.82 MAPT (0.43) MAPTALDH1A1MAPK1GAALMNA
SCHEMBL4454793 0.82 THRA (0.39) MAPTALDH1A1HIF1ALTB4RLTB4R2

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