SCHEMBL7709762

SCHEMBL7709762

O=C(CC[C@H](NC(=O)c1ccc(O)c(O)c1)C(=O)OCc1ccccc1)OOCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.47
LNPEP Q9UIQ6 4/20 0.44
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HPGDS O60760 1/20 0.41
F10 P00742 1/20 0.41
PRSS1 P07477 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
GPR132 Q9UNW8 1/20 0.40
ERAP2 Q6P179 3/20 0.39
ERAP1 Q9NZ08 2/20 0.39
CCKBR P32239 1/20 0.39
TACR1 P25103 2/20 0.38
AKR1B10 O60218 1/20 0.38
TTR P02766 1/20 0.38
AKR1B1 P15121 1/20 0.38

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
SCHEMBL7712154 0.89 ACE (0.51) ACELNPEPKDM4EALDH1A1HPGD
SCHEMBL7709356 0.86 ACE (0.50) ACELNPEPHPGDSF10PRSS1
SCHEMBL7511099 0.82 ACE (0.64) ACELNPEPHPGDSGPR132TACR1
SCHEMBL7523142 0.80 ACE (0.50) ACELNPEPHPGDSGPR132ERAP2
SCHEMBL28138300 0.78 ACE (0.61) ACEALDH1A1HPGDL3MBTL1F10
SCHEMBL28138297 0.78 ACE (0.61) ACEALDH1A1HPGDL3MBTL1F10
SCHEMBL7522184 0.76 ATM (0.50) ACELNPEPALDH1A1HPGDERAP2
SCHEMBL7553966 0.76 GPR132 (0.58) ACELNPEPHPGDSGPR132ERAP2
SCHEMBL7513781 0.75 PPARA (0.51) ACE
SCHEMBL7703848 0.75 GPR132 (0.63) ACELNPEPHPGDSGPR132ERAP2

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