SCHEMBL22290366

SCHEMBL22290366

CC(=O)Oc1ccc(CC(N)C(=O)NC(Cc2ccc(OC(C)=O)c(OC(C)=O)c2)C(=O)OCc2ccccc2)cc1OC(C)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.49
POLB P06746 1/20 0.47
OPRK1 P41145 2/20 0.47
MME P08473 1/20 0.46
ANPEP P15144 1/20 0.46
MBTPS1 Q14703 1/20 0.45
OPRD1 P41143 5/20 0.45
OPRM1 P35372 4/20 0.45
ACE P12821 1/20 0.43
ERAP2 Q6P179 3/20 0.42
LNPEP Q9UIQ6 3/20 0.42
ERAP1 Q9NZ08 1/20 0.42
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CTSS P25774 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42

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
SCHEMBL1271959 1.00 TACR1 (0.49) TACR1POLBOPRK1MMEANPEP
SCHEMBL1067140 0.99 TACR1 (0.51) TACR1POLBOPRK1MMEANPEP
SCHEMBL1065803 0.99 TACR1 (0.51) TACR1POLBOPRK1MMEANPEP
Hydrochloric Acid SCHEMBL11440859 0.99 TACR1 (0.48) TACR1POLBOPRK1MMEANPEP
SCHEMBL1070524 0.93 ERAP2 (0.47) TACR1POLBMMEANPEPERAP2
SCHEMBL1069008 0.92 IL1RN (0.46) ERAP2ERAP1CTSLCTSBCTSS
SCHEMBL1068982 0.91 OPRK1 (0.48) TACR1POLBOPRK1OPRD1OPRM1
SCHEMBL1068948 0.91 OPRK1 (0.48) TACR1POLBOPRK1OPRD1OPRM1
SCHEMBL1070478 0.90 OPRK1 (0.58) OPRK1HDAC3HDAC4HDAC1HDAC7
SCHEMBL1069413 0.90 OPRK1 (0.58) OPRK1HDAC3HDAC4HDAC1HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3917504-A1 COMPOSITIONS AND METHODS FOR TREATING OR LIMITING DEVELOPMENT OF AGE-RELATED MACULAR DEGENERATION Arizona Board of Regents on behalf of the University of Arizona (US) 2021-12-08 EP disclosed
WO-2020160256-A1 COMPOSITIONS AND METHODS FOR TREATING OR LIMITING DEVELOPMENT OF AGE-RELATED MACULAR DEGENERATION ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2020-08-06 WO disclosed