SCHEMBL21153677

SCHEMBL21153677

CC(=O)CCC(=O)NCCOCCOCCOCCOCCC(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(C)=O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.39
OPRD1 P41143 5/20 0.39
OPRM1 P35372 4/20 0.39
OPRK1 P41145 1/20 0.39
CA2 P00918 1/20 0.39
CPA1 P15085 1/20 0.38
CPA2 P48052 1/20 0.38
CPA4 Q9UI42 1/20 0.38
TACR1 P25103 1/20 0.38
TSHR P16473 1/20 0.38
ACE P12821 1/20 0.38

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
SCHEMBL20041101 0.86 AKT1 (0.45) ALDH1A1POLBOPRD1OPRM1OPRK1
SCHEMBL17178203 0.84 CHRNA1 (0.44)
SCHEMBL25730738 0.84 LMNA (0.40) ALDH1A1CPA1CPA2CPA4
SCHEMBL21152554 0.83 ACE (0.40) OPRD1OPRM1OPRK1ACE
SCHEMBL16485173 0.81 CHRNB2 (0.48) OPRD1OPRM1OPRK1
SCHEMBL27377107 0.80 CCKAR (0.47)
SCHEMBL30360098 0.79 ACE (0.57) ACE
SCHEMBL16485412 0.79 CHRNA1 (0.42)
SCHEMBL27379438 0.79 CCKAR (0.43) OPRD1OPRM1OPRK1
SCHEMBL27379451 0.79 CCKAR (0.43) OPRD1OPRM1OPRK1CPA1CPA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024020164-A2 GLUCOCORTICOID RECEPTOR AGONISTS AND CONJUGATES THEREOF FIREFLY BIO, INC. (US) 2024-01-25 WO disclosed
WO-2020132483-A1 RIFAMYCIN ANALOGS AND ANTIBODY-DRUG CONJUGATES THEREOF REGENERON PHARMACEUTICALS, INC. (US) 2020-06-25 WO disclosed
WO-2019217591-A1 ANTI-MSR1 ANTIBODIES AND METHODS OF USE THEREOF REGENERON PHARMACEUTICALS, INC. (US) 2019-11-14 WO disclosed
WO-2019136487-A2 STEROIDS AND ANTIBODY-CONJUGATES THEREOF REGENERON PHARMACEUTICALS, INC. (US) 2019-07-11 WO disclosed