SCHEMBL8115685

SCHEMBL8115685

COC(OC)[C@H](CCNC(=O)c1ccc(-c2cc3ccccc3o2)cc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADCY6 O43306 3/20 0.51
ADCY3 O60266 3/20 0.51
ADCY9 O60503 3/20 0.51
ADCY5 O95622 3/20 0.51
ADCY8 P40145 3/20 0.51
GCGR P47871 3/20 0.51
ADCY7 P51828 3/20 0.51
ADCY2 Q08462 3/20 0.51
ADCY1 Q08828 3/20 0.51
ADCY4 Q8NFM4 3/20 0.51
HDAC6 Q9UBN7 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
NFKB1 P19838 1/20 0.45
NPY1R P25929 1/20 0.45

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
SCHEMBL7739782 0.83 MMP12 (0.52) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL7742392 0.83 MMP12 (0.52) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL7739785 0.83 MMP12 (0.52) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL7742683 0.82 ADCY6 (0.51) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL7742677 0.82 ADCY6 (0.51) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL8115682 0.81 ADCY6 (0.49) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL8115688 0.81 ADCY6 (0.49) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL7741343 0.78 ADCY6 (0.49) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL8121465 0.78 ADCY6 (0.45) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL7741056 0.77 ALDH1A1 (0.44) ADCY6ADCY3ADCY9ADCY5ADCY8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1024134-A1 AMINOBUTANOIC ACID DERIVATIVES ONO PHARMACEUTICAL CO., LTD. (JP) 2000-08-02 EP disclosed