SCHEMBL9439870

SCHEMBL9439870

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

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IL1RN P18510 1/20 0.53
ERAP2 Q6P179 1/20 0.53
ERAP1 Q9NZ08 1/20 0.53
PTPN1 P18031 1/20 0.50
PPARG P37231 1/20 0.48
OPRM1 P35372 1/20 0.47
OPRD1 P41143 1/20 0.47
OPRK1 P41145 1/20 0.47
CTSB P07858 1/20 0.47
BIRC2 Q13490 1/20 0.47
YAP1 P46937 3/20 0.46
CTSS P25774 1/20 0.46
CTSK P43235 1/20 0.46
REN P00797 2/20 0.46
MME P08473 1/20 0.45
ACE P12821 1/20 0.45
CPA1 P15085 1/20 0.45
ACE2 Q9BYF1 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
SCHEMBL9439907 0.93 OPRD1 (0.54) IL1RNERAP2ERAP1PTPN1PPARG
SCHEMBL9439872 0.82 ERAP2 (0.52) IL1RNERAP2ERAP1PTPN1PPARG
SCHEMBL9011324 0.82 OPRD1 (0.59) IL1RNERAP2ERAP1PTPN1OPRM1
SCHEMBL9011304 0.81 REN (0.58) PTPN1YAP1REN
SCHEMBL21319404 0.79 PPARG (0.64) PPARGYAP1MMEACECPA1
SCHEMBL8575598 0.79 CTSS (0.55) IL1RNERAP2ERAP1PTPN1OPRM1
SCHEMBL8575593 0.79 CTSS (0.55) IL1RNERAP2ERAP1PTPN1OPRM1
SCHEMBL30538831 0.78 PTPN1 (0.59) PTPN1CTSBCTSSCTSKREN
SCHEMBL2482019 0.78 REN (0.60) OPRM1OPRD1OPRK1CTSBBIRC2
SCHEMBL12706390 0.77 REN (0.68) IL1RNERAP2ERAP1PTPN1CTSK

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