SCHEMBL7712154

SCHEMBL7712154

O=C(CC[C@H](NC(=O)c1ccc(O)cc1)C(=O)OCc1ccccc1)OOCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.51
LMNA P02545 1/20 0.46
CTSL P07711 2/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
TACR1 P25103 2/20 0.41
CTSG P08311 1/20 0.41
CTRB1 P17538 1/20 0.41
LNPEP Q9UIQ6 1/20 0.41
BCHE P06276 2/20 0.40
ACHE P22303 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL7709762 0.89 ACE (0.47) ACECA1CA2TACR1LNPEP
SCHEMBL28138297 0.84 ACE (0.61) ACECTSLTACR1CTSGCTRB1
SCHEMBL28138300 0.84 ACE (0.61) ACECTSLTACR1CTSGCTRB1
SCHEMBL7709445 0.80 ACE (0.70) ACELMNACTSLCA1CA2
SCHEMBL7513781 0.79 PPARA (0.51) ACECTSL
SCHEMBL7046023 0.78 ACE (0.60) ACECTSLCA1CA2TACR1
SCHEMBL29452999 0.77 ACE (0.55) ACECTSLTACR1CTSGCTRB1
SCHEMBL3936009 0.77 ACE (0.72) ACELMNACTSLCA1CA2
SCHEMBL3936012 0.77 ACE (0.72) ACELMNACTSLCA1CA2
SCHEMBL5652507 0.76 ACE (0.52) ACELMNACTSLCA1CA2

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
US-6362165-B1 Hydroxyphenyl derivatives with HIV integrase inhibitory properties PHARMACOR INC. (CA) 2002-03-26 US disclosed