SCHEMBL29080502

SCHEMBL29080502

COC(=O)c1cc(N)c(NCC=CCNC(=O)OC(C)(C)C)c(OC)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 1/20 0.38
USP2 O75604 1/20 0.34
KDM4E B2RXH2 4/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CNR2 P34972 1/20 0.34
SERPINE1 P05121 1/20 0.34
MAPT P10636 2/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
ATM Q13315 1/20 0.33
HSD17B10 Q99714 1/20 0.33
DRD2 P14416 2/20 0.33
TSHR P16473 2/20 0.33
TUBB4A P04350 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
SCHEMBL22313218 1.00 STING1 (0.38) STING1USP2KDM4EALDH1A1LMNA
SCHEMBL29012734 0.91 STING1 (0.45) STING1KDM4EALDH1A1LMNAHTT
SCHEMBL20889072 0.91 STING1 (0.45) STING1KDM4EALDH1A1LMNAHTT
SCHEMBL29406354 0.91 STING1 (0.45) STING1KDM4EALDH1A1LMNAHTT
SCHEMBL28453150 0.91 STING1 (0.38) STING1KDM4EALDH1A1LMNAHTT
SCHEMBL28453154 0.91 STING1 (0.38) STING1KDM4EALDH1A1LMNAHTT
SCHEMBL22288344 0.83 ALDH1A1 (0.39) STING1KDM4EALDH1A1LMNAHTT
SCHEMBL22288343 0.83 ALDH1A1 (0.39) STING1KDM4EALDH1A1LMNAHTT
SCHEMBL25098877 0.81 STING1 (0.46) STING1ATMDRD2BRD4
SCHEMBL29868394 0.81 STING1 (0.46) STING1ATMDRD2BRD4

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
CN-116829551-A Immunomodulatory antibody drug conjugates 思进公司 2023-09-29 CN disclosed