SCHEMBL7308501

SCHEMBL7308501

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMEL1 Q495T6 1/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
ADCY6 O43306 1/20 0.40
ADCY3 O60266 1/20 0.40
ADCY9 O60503 1/20 0.40
ADCY5 O95622 1/20 0.40
ADCY8 P40145 1/20 0.40
GCGR P47871 1/20 0.40
ADCY7 P51828 1/20 0.40
ADCY2 Q08462 1/20 0.40
ADCY1 Q08828 1/20 0.40
ADCY4 Q8NFM4 1/20 0.40
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39

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
SCHEMBL7309958 0.87 MMEL1 (0.58) MMEL1
SCHEMBL7318079 0.87 MMEL1 (0.58) MMEL1
SCHEMBL7308495 0.79 CTSS (0.52) MMEL1CTSSCTSKADCY6ADCY3
SCHEMBL7312143 0.79 FOLH1 (0.42) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7343038 0.78 PPARA (0.46) CTSSCTSK
SCHEMBL7322719 0.77 ACP3 (0.50)
SCHEMBL7348051 0.77 ACP3 (0.50)
SCHEMBL7343009 0.75 HDAC3 (0.39) MMEL1HDAC3HDAC4HDAC1HDAC7
SCHEMBL7319489 0.75 CTSS (0.49) MMEL1CTSSCTSKADCY6ADCY3
SCHEMBL7308481 0.75 CTSS (0.49) MMEL1CTSSCTSKADCY6ADCY3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0592367-A2 Phosphono/biaryl substituted dipeptide derivatives CIBA-GEIGY AG (CH) 1994-04-13 EP disclosed
US-5294632-A Diuretics and vasorelaxants CIBA-GEIGY CORPORATION (US) 1994-03-15 US disclosed
EP-0511940-A2 Phosphono/biaryl substituted dipeptide derivatives CIBA-GEIGY AG (CH) 1992-11-04 EP disclosed
US-5155100-A Treating cardiovascular disorders in mammals CIBA-GEIGY CORPORATION (US) 1992-10-13 US disclosed