SCHEMBL7511099

SCHEMBL7511099

O=C(N[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1)c1ccc(O)c(O)c1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.64
HPGDS O60760 3/20 0.56
CTSL P07711 1/20 0.55
LNPEP Q9UIQ6 2/20 0.55
GPR132 Q9UNW8 1/20 0.54
TACR1 P25103 2/20 0.53
TYR P14679 2/20 0.53
POLB P06746 2/20 0.51
GAA P10253 1/20 0.51
RAB9A P51151 1/20 0.51
MBTPS1 Q14703 1/20 0.51
ITGA4 P13612 1/20 0.51
ITGB7 P26010 1/20 0.51
MAPT P10636 2/20 0.50
S1PR1 P21453 1/20 0.50
S1PR4 O95977 1/20 0.49

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
SCHEMBL7553966 0.92 GPR132 (0.58) ACEHPGDSLNPEPGPR132GAA
SCHEMBL7703848 0.89 GPR132 (0.63) ACEHPGDSLNPEPGPR132TACR1
SCHEMBL7523142 0.88 ACE (0.50) ACEHPGDSCTSLLNPEPGPR132
SCHEMBL7709445 0.87 ACE (0.70) ACEHPGDSCTSLLNPEPGPR132
SCHEMBL7709356 0.85 ACE (0.50) ACEHPGDSLNPEP
SCHEMBL7522184 0.84 ATM (0.50) ACELNPEPPOLBRAB9AMAPT
SCHEMBL3936012 0.83 ACE (0.72) ACECTSLLNPEPGPR132TACR1
SCHEMBL3936009 0.83 ACE (0.72) ACECTSLLNPEPGPR132TACR1
SCHEMBL7709762 0.82 ACE (0.47) ACEHPGDSLNPEPGPR132TACR1
SCHEMBL5802843 0.81 TYR (0.62) CTSLTACR1TYR

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