SCHEMBL27464601

SCHEMBL27464601

COC(=O)OC(=O)c1cccc(C(=O)OC)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.55
LOXL2 Q9Y4K0 1/20 0.54
CYP4F2 P78329 2/20 0.53
CYP4A11 Q02928 2/20 0.53
RAB9A P51151 3/20 0.51
POLB P06746 1/20 0.51
ALDH1A1 P00352 2/20 0.50
SLC7A5 Q01650 1/20 0.50
NPC1 O15118 2/20 0.49
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA9 Q16790 2/20 0.48
CA7 P43166 1/20 0.48
XDH P47989 1/20 0.48
CA14 Q9ULX7 1/20 0.48
TP53 P04637 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL8689435 0.90 TSHR (0.61) TSHRLOXL2CYP4F2CYP4A11RAB9A
SCHEMBL34953 0.88 TSHR (0.70) TSHRLOXL2CYP4F2CYP4A11RAB9A
SCHEMBL27521022 0.87 TSHR (0.55) TSHRLOXL2CYP4F2CYP4A11RAB9A
Methyl Alcohol SCHEMBL28469619 0.86 TSHR (0.67) TSHRLOXL2CYP4F2CYP4A11RAB9A
SCHEMBL9943503 0.86 TSHR (0.67) TSHRLOXL2CYP4F2CYP4A11RAB9A
Lithium SCHEMBL29634258 0.86 TSHR (0.67) TSHRLOXL2CYP4F2CYP4A11RAB9A
SCHEMBL8054504 0.86 TSHR (0.67) TSHRLOXL2CYP4F2CYP4A11RAB9A
Potassium SCHEMBL30190417 0.86 TSHR (0.67) TSHRLOXL2CYP4F2CYP4A11RAB9A
SCHEMBL29966404 0.86 TSHR (0.67) TSHRLOXL2CYP4F2CYP4A11RAB9A
SCHEMBL10941453 0.86 TSHR (0.67) TSHRLOXL2CYP4F2CYP4A11RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1226296-C Process for preparing KANEKA CORP (JP) 2005-11-09 CN disclosed
CN-1493570-A Process for preparing ��Ԩ��ѧ��ҵ��ʽ���� 2004-05-05 CN disclosed
CN-1122029-C Process for preparing simvastatin KANEKA CORP (JP) 2003-09-24 CN disclosed
CN-1290261-A Process for preparing simvastatin KANEKA CORP (JP) 2001-04-04 CN disclosed