SCHEMBL26201907

SCHEMBL26201907

COCCC(=O)NCCOCCC(=O)N[C@H]1CC[C@@H](C(=O)C(C)C)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
KDM4E B2RXH2 2/20 0.36
TSHR P16473 1/20 0.35
DRD2 P14416 3/20 0.35
HTR2A P28223 3/20 0.35
DRD3 P35462 3/20 0.35
HTR1A P08908 1/20 0.35
DRD1 P21728 1/20 0.35
DRD4 P21917 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
EPHX2 P34913 1/20 0.35
KDM5A P29375 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL26062908 0.89 RXFP1 (0.33) POLBNPC1RAB9ATSHREPHX2
SCHEMBL25028605 0.89 CNR1 (0.39) POLBNPC1RAB9ADRD2HTR2A
SCHEMBL25029638 0.89 MME (0.40) POLBNPC1RAB9ADRD2HTR2A
SCHEMBL26201979 0.88 RAB9A (0.36) POLBNPC1RAB9AKDM4EEPHX2
SCHEMBL25027795 0.88 KMT2A (0.37) POLBNPC1RAB9AEPHX2MAPT
SCHEMBL25030873 0.87 MEN1 (0.42) POLBNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL26058739 0.86 USP2 (0.35) POLBNPC1RAB9AKDM4EDRD2
SCHEMBL25028347 0.86 POLB (0.32) POLBNPC1RAB9AEPHX2SMN1; SMN2
SCHEMBL26201903 0.85 CASP2 (0.38) TSHREPHX2MAPTNPSR1ALDH1A1
SCHEMBL26062957 0.84 POLB (0.39) POLBNPC1RAB9ADRD2HTR2A

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
WO-2023161877-A1 CYTOTOXICITY TARGETING CHIMERAS FOR INTEGRIN AVB6-EXPRESSING CELLS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-08-31 WO disclosed