SCHEMBL5792129

SCHEMBL5792129

COc1cccc(C(=O)PC[C@H](C)CC(C)(C)C)c1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.42
KMT2A Q03164 4/20 0.41
POLB P06746 3/20 0.41
USP2 O75604 1/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
MEN1 O00255 2/20 0.40
TP53 P04637 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 3/20 0.38
GAA P10253 3/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HTT P42858 1/20 0.38
CNR2 P34972 1/20 0.38
NFE2L2 Q16236 1/20 0.37

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
SCHEMBL4427222 0.85 CA12 (0.42) KMT2ASMN1; SMN2ALDH1A1GAANFE2L2
Water SCHEMBL27455390 0.84 CA12 (0.41) KMT2ASMN1; SMN2ALDH1A1GAANFE2L2
SCHEMBL5996090 0.82 MAPT (0.34) HPGDKMT2AMEN1SMN1; SMN2L3MBTL1
SCHEMBL5996102 0.81 CA12 (0.39) POLBKDM4EALDH1A1HSD17B10
SCHEMBL5993280 0.80 TP53 (0.49) HPGDKMT2ANPC1RAB9AMEN1
SCHEMBL8007043 0.78 KMT2A (0.41) HPGDKMT2APOLBUSP2NPC1
SCHEMBL8007048 0.78 HPGD (0.41) HPGDKMT2APOLBUSP2NPC1
SCHEMBL5788912 0.78 KMT2A (0.41) HPGDKMT2APOLBUSP2NPC1
SCHEMBL5789698 0.75 KMT2A (0.43) HPGDKMT2APOLBUSP2NPC1
SCHEMBL5995281 0.75 L3MBTL1 (0.37) KMT2ASMN1; SMN2L3MBTL1KDM4EGAA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006006712-A1 METHOD FOR PRODUCTION OF CEMENT DISPERSANT AND POLYCARBOXYLIC ACID TYPE POLYMER FOR CEMENT DISPERSANT NIPPON SHOKUBAI CO., LTD. (JP) 2006-01-19 WO disclosed