SCHEMBL27972883

SCHEMBL27972883

C#CC(C)(C)c1cc(C(N)=O)cc(C(C)(C)C#C)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.35
PARP1 P09874 5/20 0.33
TSHR P16473 3/20 0.33
CYP3A4 P08684 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CES2 O00748 1/20 0.32
EPHX2 P34913 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
APOBEC3A P31941 1/20 0.32
HTT P42858 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
HSD11B1 P28845 1/20 0.31
MAPT P10636 2/20 0.31
POLB P06746 1/20 0.31
CYP2C19 P33261 1/20 0.31
RECQL P46063 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL47585 0.77 GABRA1 (0.48) DHODHCYP3A4SMN1; SMN2EPHX2NR1H4
SCHEMBL28510841 0.74 CES2 (0.47) DHODHCES2MAPTGAA
SCHEMBL14776207 0.73 PARP1 (0.39) DHODHPARP1TSHRCYP3A4SMN1; SMN2
SCHEMBL23224106 0.69 CES2 (0.55) DHODHCES2MAPTPOLBKMT2A
SCHEMBL16380759 0.69 CES2 (0.55) DHODHCES2MAPTPOLBGAA
SCHEMBL826982 0.69 RXRA (0.49) NR1H4MAPTPOLBRECQLBLM
SCHEMBL627995 0.69 CES2 (0.67) DHODHCES2MAPTPOLBKMT2A
SCHEMBL3077509 0.68 SMN1; SMN2 (0.44) DHODHPARP1TSHRCYP3A4SMN1; SMN2
Hydrochloric Acid SCHEMBL4372326 0.67 CES2 (0.64) DHODHCES2MAPTPOLBKMT2A
Hydrochloric Acid SCHEMBL4027010 0.67 CES2 (0.64) DHODHCES2MAPTPOLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104797701-A Microbial strains, compositions, and methods for increasing available phosphate for plants ICHIKOH INDUSTRIES LTD 2015-07-22 CN disclosed
CN-104284583-A Methods of controlling weeds with Thaxtomin and Thaxtomin compositions in combination with beneficial herbicide NOVOZYMES BIOLOGICALS INC 2015-01-14 CN disclosed
CN-104093829-A Bradyrhizobium strains NOVOZYMES BIOAG AS 2014-10-08 CN disclosed