SCHEMBL11670615

SCHEMBL11670615

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERAP2 Q6P179 3/20 0.61
IL1RN P18510 2/20 0.61
ERAP1 Q9NZ08 2/20 0.61
PSMB1 P20618 1/20 0.57
PSMB9 P28065 1/20 0.57
PSMB5 P28074 1/20 0.57
PSMB10 P40306 1/20 0.57
PSMB2 P49721 1/20 0.57
LTA4H P09960 1/20 0.55
LNPEP Q9UIQ6 3/20 0.53
PPARG P37231 1/20 0.53
BIRC2 Q13490 1/20 0.52
MME P08473 1/20 0.50
ACE P12821 1/20 0.50
CPA1 P15085 1/20 0.50
ACE2 Q9BYF1 1/20 0.50
REN P00797 1/20 0.50
CAPN1 P07384 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 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
Trifluoroacetic Acid SCHEMBL11669777 0.95 ERAP2 (0.57) ERAP2IL1RNERAP1PSMB1PSMB9
Hydrochloric Acid SCHEMBL31321913 0.89 ERAP2 (0.56) ERAP2IL1RNERAP1PSMB1PSMB9
Hydrochloric Acid SCHEMBL8414461 0.87 ERAP2 (0.66) ERAP2IL1RNERAP1LTA4HLNPEP
Trifluoroacetic Acid SCHEMBL11669871 0.86 ERAP2 (0.56) ERAP2IL1RNERAP1PSMB1PSMB9
SCHEMBL23106759 0.86 BIRC2 (0.65) LTA4HBIRC2MME
SCHEMBL10443852 0.86 BIRC2 (0.65) LTA4HBIRC2MME
SCHEMBL10443850 0.86 BIRC2 (0.65) LTA4HBIRC2MME
SCHEMBL29046832 0.86 BIRC2 (0.65) LTA4HBIRC2MME
Hydrochloric Acid SCHEMBL11594408 0.85 BIRC2 (0.64) LTA4HBIRC2MME
Acetic Acid SCHEMBL10444079 0.85 BIRC2 (0.64) LTA4HBIRC2MME

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4043994-A New pentapeptides and methods for their production PARKE, DAVIS & COMPANY (US) 1977-08-23 US disclosed