SCHEMBL9682948

SCHEMBL9682948

CC(OC(=O)C(C)(C)C)C(N(C(C)OC(=O)C(C)(C)C)C(Cc1ccc(-c2ccccc2)cc1)C(=O)NCCC(=O)O)P(=O)(O)O

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMEL1 Q495T6 1/20 0.47
ADCY6 O43306 1/20 0.43
ADCY3 O60266 1/20 0.43
ADCY9 O60503 1/20 0.43
ADCY5 O95622 1/20 0.43
ADCY8 P40145 1/20 0.43
GCGR P47871 1/20 0.43
ADCY7 P51828 1/20 0.43
ADCY2 Q08462 1/20 0.43
ADCY1 Q08828 1/20 0.43
ADCY4 Q8NFM4 1/20 0.43

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
SCHEMBL7314538 0.78 MMEL1 (0.47) MMEL1ADCY6ADCY3ADCY9ADCY5
SCHEMBL7312623 0.77 MMEL1 (0.45) MMEL1ADCY6ADCY3ADCY9ADCY5
SCHEMBL7309958 0.76 MMEL1 (0.58) MMEL1
SCHEMBL7318079 0.76 MMEL1 (0.58) MMEL1
SCHEMBL3638965 0.74 MMEL1 (0.61) MMEL1
SCHEMBL9682944 0.73 MMEL1 (0.49) MMEL1ADCY6ADCY3ADCY9ADCY5
SCHEMBL7313372 0.72 MMEL1 (0.56) MMEL1
SCHEMBL7310435 0.72 MMEL1 (0.58) MMEL1
SCHEMBL7316590 0.72 MMEL1 (0.58) MMEL1
SCHEMBL7318805 0.71 MMEL1 (0.37) MMEL1

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-0511940-A2 Phosphono/biaryl substituted dipeptide derivatives CIBA-GEIGY AG (CH) 1992-11-04 EP claimed