SCHEMBL7523142

SCHEMBL7523142

O=C(N[C@@H](COCc1ccccc1)C(=O)OCc1ccccc1)c1ccc(O)c(O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.50
LNPEP Q9UIQ6 2/20 0.48
HPGDS O60760 2/20 0.46
CTSL P07711 2/20 0.44
GPR132 Q9UNW8 1/20 0.44
FOLH1 Q04609 1/20 0.44
AKR1B10 O60218 1/20 0.43
TTR P02766 1/20 0.43
AKR1B1 P15121 1/20 0.43
ITGA4 P13612 1/20 0.42
ITGB7 P26010 1/20 0.42
TACR1 P25103 2/20 0.42
LMNA P02545 1/20 0.42
TERT O14746 1/20 0.42
TOP1 P11387 1/20 0.42
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
ERAP2 Q6P179 1/20 0.42
ERAP1 Q9NZ08 1/20 0.42
CTSS P25774 1/20 0.41

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
SCHEMBL7511099 0.88 ACE (0.64) ACELNPEPHPGDSCTSLGPR132
SCHEMBL7709356 0.83 ACE (0.50) ACELNPEPHPGDSERAP2ERAP1
SCHEMBL7522184 0.81 ATM (0.50) ACELNPEPAKR1B10TTRAKR1B1
SCHEMBL7553966 0.81 GPR132 (0.58) ACELNPEPHPGDSGPR132PPARG
SCHEMBL7703848 0.80 GPR132 (0.63) ACELNPEPHPGDSGPR132TACR1
SCHEMBL7709762 0.80 ACE (0.47) ACELNPEPHPGDSGPR132AKR1B10
SCHEMBL19853660 0.76 ACE (0.52) ACECTSLFOLH1TACR1PPARA
SCHEMBL3365762 0.76 ACE (0.52) ACECTSLFOLH1TACR1PPARA
SCHEMBL12072102 0.76 PIN1 (0.57) GPR132FOLH1PPARGPPARA
SCHEMBL12073397 0.76 PIN1 (0.57) GPR132FOLH1PPARGPPARA

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
US-6362165-B1 Hydroxyphenyl derivatives with HIV integrase inhibitory properties PHARMACOR INC. (CA) 2002-03-26 US disclosed
EP-1165492-A1 HYDROXYPHENYL DERIVATIVES WITH HIV INTEGRASE INHIBITORY PROPERTIES Pharmacor Inc. (CA) 2002-01-02 EP disclosed
WO-2000059867-A1 HYDROXYPHENYL DERIVATIVES WITH HIV INTEGRASE INHIBITORY PROPERTIES PHARMACOR INC. (CA) 2000-10-12 WO disclosed