SCHEMBL9439872

SCHEMBL9439872

COC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CN(C=O)C(=O)[C@@H](N)Cc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ERAP2 Q6P179 3/20 0.52
IL1RN P18510 2/20 0.52
ERAP1 Q9NZ08 2/20 0.52
OPRD1 P41143 5/20 0.49
OPRM1 P35372 3/20 0.49
PTPN1 P18031 1/20 0.48
PPARG P37231 1/20 0.46
LNPEP Q9UIQ6 1/20 0.45
OPRK1 P41145 2/20 0.45
CTSB P07858 1/20 0.45

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
SCHEMBL9439917 0.94 OPRD1 (0.52) ERAP2IL1RNERAP1OPRD1OPRM1
SCHEMBL9439870 0.82 IL1RN (0.53) ERAP2IL1RNERAP1OPRD1OPRM1
SCHEMBL9011301 0.82 REN (0.46) ERAP2IL1RNERAP1OPRD1OPRM1
SCHEMBL9439866 0.81 OPRD1 (0.47) ERAP2IL1RNERAP1OPRD1OPRM1
SCHEMBL9011324 0.81 OPRD1 (0.59) ERAP2IL1RNERAP1OPRD1OPRM1
SCHEMBL10382370 0.77 OPRD1 (0.50) OPRD1OPRM1PPARGLNPEPOPRK1
SCHEMBL11670615 0.76 ERAP2 (0.61) ERAP2IL1RNERAP1PTPN1PPARG
SCHEMBL12962537 0.76 OPRD1 (0.61) OPRD1OPRM1OPRK1
SCHEMBL12962529 0.76 OPRD1 (0.61) OPRD1OPRM1OPRK1
SCHEMBL9439907 0.76 OPRD1 (0.54) ERAP2IL1RNERAP1OPRD1OPRM1

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-0470175-A1 ENZYMATIC MEMBRANE METHOD FOR THE SYNTHESIS AND SEPARATION OF PEPTIDES THE COCA-COLA COMPANY (US) 1992-02-12 EP claimed
WO-1990012883-A1 ENZYMATIC MEMBRANE METHOD FOR THE SYNTHESIS AND SEPARATION OF PEPTIDES THE COCA-COLA COMPANY (US) 1990-11-01 WO claimed
US-5350681-A Aspartame THE COCA-COLA COMPANY (US) 1994-09-27 US disclosed
US-5336601-A Enzymatic membrane method for the snythesis and separation of peptides THE COCA-COLA COMPANY (US) 1994-08-09 US disclosed
WO-1990012883-A1 ENZYMATIC MEMBRANE METHOD FOR THE SYNTHESIS AND SEPARATION OF PEPTIDES THE COCA-COLA COMPANY (US) 1990-11-01 WO disclosed