SCHEMBL23480288

SCHEMBL23480288

COCCOc1cccc(OCCOC(C)C)n1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
HTR7 P34969 2/20 0.38
MPO P05164 1/20 0.37
GRM4 Q14833 3/20 0.35
KDM1A O60341 1/20 0.35
TRPA1 O75762 1/20 0.33
APLNR P35414 3/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
USP8 P40818 1/20 0.33
KDM4E B2RXH2 1/20 0.33
AKT1 P31749 1/20 0.32
AKT2 P31751 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32

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
SCHEMBL12093679 0.82 HTR7 (0.46) TSHRHTR7GRM4KDM1ATRPA1
SCHEMBL23268427 0.79 HTR7 (0.41) TSHRHTR7MPOGRM4KDM1A
SCHEMBL12092900 0.77 TSHR (0.46) TSHRHTR7GRM4KDM1AUSP8
SCHEMBL18531472 0.76 TSHR (0.36) TSHRHTR7MPOGRM4KDM1A
SCHEMBL1964751 0.75 TSHR (0.41) TSHRHTR7
SCHEMBL30328346 0.75 TSHR (0.41) TSHRHTR7GRM4KDM1AAPLNR
SCHEMBL113568 0.75 HTR7 (0.44) TSHRHTR7GRM4KDM1A
SCHEMBL25028948 0.75 HTR7 (0.65) TSHRHTR7MPOGRM4KDM1A
SCHEMBL18474383 0.75 TSHR (0.41) TSHRHTR7MPOGRM4KDM1A
SCHEMBL16511359 0.75 TSHR (0.43) TSHRGRM4MEN1KMT2AKDM4E

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-2021113679-A1 DIMERIC COMPOUNDS AS STING AGONISTS MERSANA THERAPEUTICS, INC. (US) 2021-06-10 WO disclosed