SCHEMBL7207436

SCHEMBL7207436

O=C(CCCc1ccncc1)NCC(=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.50
KDM4E B2RXH2 1/20 0.49
HPGD P15428 1/20 0.48
POLB P06746 1/20 0.48
HDAC3 O15379 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HDAC5 Q9UQL6 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
KDM6B O15054 1/20 0.47
KDM4D Q6B0I6 1/20 0.47
KDM4C Q9H3R0 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL25365126 0.88 HDAC1 (0.55) TRPV1HPGDHDAC3HDAC1HDAC2
SCHEMBL20224953 0.85 POLB (0.52) KDM4EPOLBHDAC3HDAC1HDAC2
SCHEMBL9391884 0.84 MEN1 (0.55) KDM4EHPGDHDAC1HDAC2HDAC8
SCHEMBL21254132 0.81 MEN1 (0.53) KDM4EHPGDHDAC2HDAC8HDAC6
SCHEMBL9736774 0.80 MEN1 (0.58) HPGDPOLBMEN1KMT2AL3MBTL1
SCHEMBL3392569 0.80 GAA (0.62) TRPV1HPGDPOLBHDAC3HDAC1
SCHEMBL20224987 0.80 TDP1 (0.64) POLBKMT2AL3MBTL1
SCHEMBL7207464 0.80 LMNA (0.48) TRPV1HPGDHDAC3HDAC1HDAC2
SCHEMBL28270211 0.79 EPHX2 (0.61) HPGDPOLBMEN1KMT2A
SCHEMBL13851687 0.78 ALDH1A1 (0.62) TRPV1KDM4EHPGDHDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1030831-A4 PROCESS FOR THE PREPARATION OF AZACYCLOALKYLALKANOYL PSEUDOTETRAPEPTIDES AVENTIS PHARM PROD INC (US) 2003-01-02 EP disclosed
EP-1030831-A1 PROCESS FOR THE PREPARATION OF AZACYCLOALKYLALKANOYL PSEUDOTETRAPEPTIDES Aventis Pharmaceuticals Products Inc. (US) 2000-08-30 EP disclosed
WO-1999019294-A1 PROCESS FOR THE PREPARATION OF AZACYCLOALKYLALKANOYL PSEUDOTETRAPEPTIDES AVENTIS PHARMACEUTICALS PRODUCTS INC. LEGAL/PATENTS (US) 1999-04-22 WO disclosed