SCHEMBL7574669

SCHEMBL7574669

C=CCOC(=O)CC(C)Cl

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.50
TSHR P16473 4/20 0.46
CYP3A4 P08684 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
PKM P14618 1/20 0.35
MAPT P10636 1/20 0.34
CACNA1B Q00975 1/20 0.34
APBA1 Q02410 1/20 0.34
ALDH1A1 P00352 5/20 0.33
GAA P10253 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
HSD17B10 Q99714 3/20 0.32
KDM4E B2RXH2 2/20 0.31
HPGD P15428 2/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL873242 0.83 TDP1 (0.58) TDP1TSHRCYP3A4NPSR1SMN1; SMN2
SCHEMBL6530496 0.82 TDP1 (0.51) TDP1TSHRCYP3A4NPSR1SMN1; SMN2
SCHEMBL374991 0.82 TDP1 (0.51) TDP1TSHRCYP3A4NPSR1SMN1; SMN2
Ethane SCHEMBL17791907 0.82 TDP1 (0.61) TDP1TSHRCYP3A4NPSR1SMN1; SMN2
SCHEMBL8650694 0.81 TDP1 (0.46) TDP1TSHRCYP3A4NPSR1SMN1; SMN2
SCHEMBL4852532 0.81 TDP1 (0.44) TDP1TSHRCYP3A4NPSR1SMN1; SMN2
SCHEMBL7583499 0.80 TDP1 (0.50) TDP1TSHRCYP3A4NPSR1SMN1; SMN2
SCHEMBL10915080 0.80 TDP1 (0.50) TDP1TSHRCYP3A4NPSR1SMN1; SMN2
SCHEMBL3264927 0.80 TDP1 (0.50) TDP1TSHRCYP3A4NPSR1SMN1; SMN2
SCHEMBL7194323 0.80 TDP1 (0.50) TDP1TSHRCYP3A4NPSR1SMN1; SMN2

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-20020042055-A1 Alteration of hydrolase genes and screening of the resulting libraries for the ability to catalyze specific reactions MAXYGEN, INC. 2002-04-11 US disclosed
WO-2001046476-A1 ALTERATION OF HYDROLASE GENES AND SCREENING OF THE RESULTING LIBRARIES FOR THE ABILITY TO CATALYZE SPECIFIC REACTIONS MAXYGEN, INC. (US) 2001-06-28 WO disclosed