SCHEMBL7319958

SCHEMBL7319958

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

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
MMEL1 Q495T6 2/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
TLR2 O60603 3/20 0.34
REN P00797 1/20 0.34
P2RY10 O00398 1/20 0.34

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
SCHEMBL7322732 0.96 TLR2 (0.38) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7309213 0.94 ITGB3 (0.34) MMEL1HDAC3HDAC4HDAC1HDAC7
SCHEMBL7311117 0.91 MMEL1 (0.37) MMEL1HDAC3HDAC4HDAC1HDAC7
SCHEMBL7321260 0.91 HDAC3 (0.38) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7317732 0.89 HDAC3 (0.36) MMEL1HDAC3HDAC4HDAC1HDAC7
SCHEMBL7312623 0.89 MMEL1 (0.45) MMEL1
SCHEMBL7316906 0.88 CYP3A4 (0.40) ALDH1A1MMEL1HDAC3HDAC4HDAC1
SCHEMBL7321202 0.84 MME (0.40) MMEL1
SCHEMBL7318805 0.84 MMEL1 (0.37) MMEL1HDAC3HDAC4HDAC1HDAC7
SCHEMBL7311798 0.81 HDAC3 (0.37) MMEL1HDAC3HDAC4HDAC1HDAC7

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-0511940-A2 Phosphono/biaryl substituted dipeptide derivatives CIBA-GEIGY AG (CH) 1992-11-04 EP claimed
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
US-5155100-A Treating cardiovascular disorders in mammals CIBA-GEIGY CORPORATION (US) 1992-10-13 US disclosed