SCHEMBL7577258

SCHEMBL7577258

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

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.41
TSHR P16473 3/20 0.41
CYP3A4 P08684 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
PKM P14618 1/20 0.34
MAPT P10636 1/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 1/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TP53 P04637 1/20 0.30

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
SCHEMBL7575730 0.85 TDP1 (0.41) TDP1TSHRCYP3A4NPSR1SMN1; SMN2
SCHEMBL2201472 0.81 TDP1 (0.41) TDP1TSHRCYP3A4NPSR1SMN1; SMN2
SCHEMBL670416 0.81 TDP1 (0.41) TDP1TSHRCYP3A4NPSR1SMN1; SMN2
SCHEMBL3836310 0.81 TDP1 (0.41) TDP1TSHRCYP3A4NPSR1SMN1; SMN2
SCHEMBL3795378 0.80 TP53 (0.32) TDP1TSHRTP53
SCHEMBL7574669 0.78 TDP1 (0.50) TDP1TSHRCYP3A4NPSR1SMN1; SMN2
SCHEMBL4858974 0.78 TDP1 (0.39) TDP1TSHRCYP3A4NPSR1SMN1; SMN2
SCHEMBL4852532 0.76 TDP1 (0.44) TDP1TSHRCYP3A4NPSR1SMN1; SMN2
SCHEMBL8650694 0.75 TDP1 (0.46) TDP1TSHRCYP3A4NPSR1SMN1; SMN2
SCHEMBL6154152 0.75 TDP1 (0.46) 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