SCHEMBL7513867

SCHEMBL7513867

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

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 16/20 0.71
TAS1R1 Q7RTX1 16/20 0.71
LNPEP Q9UIQ6 1/20 0.54
BCL2L1 Q07817 1/20 0.53

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
SCHEMBL5464318 0.96 TAS1R3 (0.66) TAS1R3TAS1R1LNPEP
SCHEMBL5464314 0.96 TAS1R3 (0.66) TAS1R3TAS1R1LNPEP
SCHEMBL4197741 0.88 TAS1R3 (0.74) TAS1R3TAS1R1BCL2L1
SCHEMBL25496209 0.88 TAS1R3 (0.74) TAS1R3TAS1R1BCL2L1
SCHEMBL4197744 0.88 TAS1R3 (0.74) TAS1R3TAS1R1BCL2L1
SCHEMBL26814846 0.87 TAS1R3 (0.69) TAS1R3TAS1R1BCL2L1
SCHEMBL10407750 0.86 TAS1R3 (0.68) TAS1R3TAS1R1
SCHEMBL6241209 0.86 TAS1R3 (0.68) TAS1R3TAS1R1
SCHEMBL13885653 0.84 LNPEP (0.56) TAS1R3TAS1R1LNPEP
SCHEMBL702469 0.84 TAS1R3 (0.76) TAS1R3TAS1R1BCL2L1

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