SCHEMBL6578313

SCHEMBL6578313

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(=O)OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 3/20 0.59
ATM Q13315 1/20 0.53
SYK P43405 1/20 0.53
CTSS P25774 3/20 0.51
CTSL P07711 2/20 0.51
TRPM8 Q7Z2W7 1/20 0.51
CTSB P07858 1/20 0.51
CTSK P43235 1/20 0.51
PSEN1 P49768 3/20 0.50
PSEN2 P49810 3/20 0.50
APH1B Q8WW43 3/20 0.50
NCSTN Q92542 3/20 0.50
APH1A Q96BI3 3/20 0.50
PSENEN Q9NZ42 3/20 0.50
PPARA Q07869 1/20 0.50
ACE P12821 1/20 0.49
APP P05067 1/20 0.47
MAPT P10636 1/20 0.47
CTRB1 P17538 1/20 0.46

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
SCHEMBL1612669 0.90 KLK5 (0.59) KLK5ATMSYKCTSSCTSL
SCHEMBL6945136 0.90 KLK5 (0.68) KLK5ATMCTSSCTSLTRPM8
SCHEMBL6945132 0.90 KLK5 (0.68) KLK5ATMCTSSCTSLTRPM8
SCHEMBL6813547 0.90 KLK5 (0.68) KLK5ATMCTSSCTSLTRPM8
SCHEMBL6931617 0.88 KLK5 (0.59) KLK5ATMSYKCTSSCTSL
SCHEMBL288838 0.87 KLK5 (0.61) KLK5ATMCTSSCTSLCTSB
SCHEMBL3447452 0.87 KLK5 (0.61) KLK5ATMCTSSCTSLCTSB
SCHEMBL5650822 0.87 KLK5 (0.61) KLK5ATMCTSSCTSLCTSB
SCHEMBL7356486 0.87 KLK5 (0.61) KLK5ATMCTSSCTSLCTSB
SCHEMBL15775826 0.87 KLK5 (0.61) KLK5ATMCTSSCTSLCTSB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0751145-B1 HIV-protease inhibitors JAPAN ENERGY CORP (JP) 2004-05-06 EP disclosed
US-6222043-B1 COUPLING 2-AMIDO-THIAZOLE DERIVATIVE WITH 2-PHENYL4-(PROTECTED)AMINO-BUTYRIC ACID; DEPROTECTING AMINO PROTECTING GROUP; ACYLATING PRODUCT WITH CARBOXYLIC ACID CONTAINING CARBOCYCLIC OR HETEROCYCLIC GROUP; DEPROTECTING JAPAN ENERGY CORPORATION (JP) 2001-04-24 US disclosed
US-5962640-A MAKING A DIPEPTIDE COMPOUND OF GIVEN FORMULA COMPRISING A ALPHA-AMINOCARBOXAMIDE INCLUDING CYCLIC GROUP LINKED TO 3-AMINO-2-HYDROXY-4-PHENYLBUTANOYL RESIDUE; HIV PROTEASE INHIBITION AND EXCELLENT BIOAVAILABILITY FROM DIGESTIVE TRACT JAPAN ENERGY CORPORATION (JP) 1999-10-05 US disclosed
US-5932550-A PROTEASE INHIBITOR; AIDS THERAPY JAPAN ENERGY CORPORATION (JP) 1999-08-03 US disclosed
EP-0751145-A2 HIV-protease inhibitors Japan Energy Corporation (JP) 1997-01-02 EP disclosed