SCHEMBL11298089

SCHEMBL11298089

CC(=O)N(C(=O)OC(C)C)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
PDCD1 Q15116 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.39
GAA P10253 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
P2RX4 Q99571 1/20 0.38
LMNA P02545 4/20 0.38
HTT P42858 2/20 0.38
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38

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
SCHEMBL130476 0.78 CRHBP (0.56) TSHRCRHBPCRHR2SMN1; SMN2GAA
SCHEMBL3507290 0.78 LMNA (0.58) TSHRPDCD1CD274SMN1; SMN2CHRNB2
SCHEMBL874377 0.78 TSHR (0.46) TSHRPDCD1CD274SMN1; SMN2GAA
SCHEMBL2532016 0.77 TSHR (0.42) TSHRPDCD1CD274SMN1; SMN2GAA
SCHEMBL829848 0.76 TSHR (0.44) TSHRPDCD1CD274SMN1; SMN2GAA
SCHEMBL29025475 0.76 ALDH1A1 (0.54) TSHRPDCD1CD274SMN1; SMN2GAA
SCHEMBL10868714 0.76 TSHR (0.41) TSHRPDCD1CD274SMN1; SMN2GAA
SCHEMBL28268442 0.76 CRHBP (0.44) TSHRCRHBPCRHR2SMN1; SMN2GAA
SCHEMBL6182625 0.75 CRHBP (0.41) TSHRCRHBPCRHR2SMN1; SMN2NPSR1
SCHEMBL7293158 0.75 ALDH1A1 (0.49) TSHRCRHBPCRHR2SMN1; SMN2GAA

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-4261732-A Alkyl and alkoxyalkyl N-3-alkyl and N-3,5-dialkylbenzoyl-N-isopropylaminoacetate herbicides PPG INDUSTRIES, INC. (US) 1981-04-14 US disclosed
US-4197114-A Alkyl N-3-alkoxy-, and N-3,5-dialkoxybenzoyl-N-isopropylaminoacetate herbicides PPG INDUSTRIES, INC. (US) 1980-04-08 US disclosed