SCHEMBL22010477

SCHEMBL22010477

COc1ccc(CN(C)Cc2c(C)oc3c(Oc4ccc5c(c4)CCN5C(=O)OC(C)(C)C)cccc23)cc1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.37
TP53 P04637 2/20 0.37
NOTUM Q6P988 1/20 0.37
THRB P10828 1/20 0.36
MAPT P10636 3/20 0.36
GHSR Q92847 2/20 0.36
DHODH Q02127 1/20 0.36
KMT2A Q03164 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GPR119 Q8TDV5 1/20 0.36

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
SCHEMBL31033316 1.00 LMNA (0.37) LMNATP53NOTUMTHRBMAPT
SCHEMBL30161678 1.00 LMNA (0.37) LMNATP53NOTUMTHRBMAPT
SCHEMBL21963797 0.90 LMNA (0.41) LMNATP53NOTUMTHRBMAPT
SCHEMBL31033306 0.84 GPR119 (0.37) LMNATP53NOTUMMAPTGHSR
SCHEMBL22010480 0.84 GPR119 (0.37) LMNATP53NOTUMMAPTGHSR
SCHEMBL30161412 0.84 GPR119 (0.37) LMNATP53NOTUMMAPTGHSR
SCHEMBL21963860 0.78 KMT2A (0.44) KMT2A
SCHEMBL31033286 0.77 ALDH1A1 (0.40) LMNAKMT2A
SCHEMBL30161442 0.76
SCHEMBL21963920 0.74 KCNH2 (0.39) KMT2A

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
CN-113272302-A Antibiotic compounds, process for their manufacture, pharmaceutical compositions containing them and their use 德彪药业国际股份公司 2021-08-17 CN disclosed
WO-2020099341-A1 ANTIBIOTIC COMPOUNDS, METHODS OF MANUFACTURING THE SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND USES THEREOF DEBIOPHARM INTERNATIONAL S.A. (CH) 2020-05-22 WO disclosed