SCHEMBL25959765

SCHEMBL25959765

COC(=O)C1COc2ccc(C(=O)O)cc2C1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 5/20 0.53
TDP1 Q9NUW8 1/20 0.52
TP53 P04637 4/20 0.46
LMNA P02545 2/20 0.46
MTNR1A P48039 3/20 0.44
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL27927241 0.84 TDP1 (0.55) ROCK2TDP1TP53LMNAALDH1A1
SCHEMBL26970911 0.83 TP53 (0.51) ROCK2TP53LMNAMTNR1APOLB
SCHEMBL25959760 0.83 TP53 (0.54) ROCK2TP53LMNAMTNR1APOLB
SCHEMBL29052819 0.83 TP53 (0.51) ROCK2TP53LMNAMTNR1APOLB
SCHEMBL28869577 0.82 TP53 (0.47) ROCK2TP53LMNAMTNR1APOLB
SCHEMBL5861985 0.82 TP53 (0.47) ROCK2TP53LMNAMTNR1APOLB
SCHEMBL11527971 0.82 ROCK2 (0.53) ROCK2TP53LMNAMTNR1APOLB
SCHEMBL414767 0.81 ROCK2 (0.57) ROCK2TDP1TP53LMNAMTNR1A
SCHEMBL1519495 0.79 TP53 (0.55) ROCK2TP53LMNA
SCHEMBL28869614 0.78 MAPT (0.50) TP53LMNAMTNR1APOLBMAPT

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
EP-4219504-A1 MACROCYCLIC TLR7 AGONIST, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND USE THEREOF Shanghai Visonpharma Co., Ltd. (CN) 2023-08-02 EP disclosed