SCHEMBL7442267

SCHEMBL7442267

CC(C)(C)OC(=O)CC(N)C(=O)C(C(=O)OCc1ccccc1)n1nnc(-c2cccc(C(=O)O)c2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
TSHR P16473 1/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SLC7A5 Q01650 1/20 0.39
HDAC6 Q9UBN7 1/20 0.37
LTA4H P09960 2/20 0.37
THRB P10828 1/20 0.36
KDM4E B2RXH2 1/20 0.36
TP53 P04637 1/20 0.36
MMP13 P45452 2/20 0.35

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
SCHEMBL7439136 0.93 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1LMNAHTTTDP1
SCHEMBL7438701 0.92 CYP1A2 (0.48) SMN1; SMN2ALDH1A1LMNAHTTTDP1
SCHEMBL7437909 0.92 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1LMNAHTTTDP1
SCHEMBL7437714 0.91 CYP1A2 (0.43) SMN1; SMN2ALDH1A1LMNAHTTTDP1
SCHEMBL7431022 0.91 CYP1A2 (0.47) SMN1; SMN2ALDH1A1LMNAHTTTDP1
SCHEMBL7429538 0.87 TDP1 (0.40) SMN1; SMN2ALDH1A1LMNAHTTTDP1
SCHEMBL7433069 0.87 TDP1 (0.39) SMN1; SMN2ALDH1A1LMNAHTTTDP1
SCHEMBL7492072 0.86 LNPEP (0.39) SMN1; SMN2ALDH1A1LMNAHTTTDP1
SCHEMBL7444957 0.86 TDP1 (0.39) SMN1; SMN2ALDH1A1LMNAHTTTDP1
SCHEMBL7437873 0.86 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1LMNAHTTTDP1

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-5710153-A INTERLEUKIN CONVERTING ENZYME INHIBITORS ONO PHRAMACEUTICAL CO., LTD. (JP) 1998-01-20 US disclosed
EP-0761680-A2 Tetrazole compounds having Interleukin-1beta converting enzyme inhibitory activity ONO PHARMACEUTICAL CO., LTD. (JP) 1997-03-12 EP disclosed