SCHEMBL5156921

SCHEMBL5156921

COCC(=O)c1ccccc1.COc1ccccc1C(C)O

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.60
▸ POLB P06746 2/20 0.60
▸ HTT P42858 1/20 0.60
▸ NPSR1 Q6W5P4 1/20 0.60
▸ NPC1 O15118 2/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ PTGS1 P23219 1/20 0.45
▸ PTGS2 P35354 1/20 0.45
▸ ATM Q13315 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ LMNA P02545 2/20 0.43
▸ MAPT P10636 1/20 0.43
▸ MRGPRX4 Q96LA9 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
SCHEMBL54072 0.80 KMT2A (0.56) L3MBTL1POLBHTTNPSR1NPC1
Benzene SCHEMBL28216395 0.80 KMT2A (0.56) L3MBTL1POLBHTTNPSR1NPC1
Hydrochloric Acid SCHEMBL27547476 0.79 NPC1 (0.54) L3MBTL1POLBHTTNPSR1NPC1
SCHEMBL8399349 0.79 NPC1 (0.54) L3MBTL1POLBHTTNPSR1NPC1
SCHEMBL4609960 0.79 CA1 (0.55) L3MBTL1POLBHTTNPSR1SMN1; SMN2
SCHEMBL14376164 0.79 CA1 (0.55) L3MBTL1POLBHTTNPSR1SMN1; SMN2
SCHEMBL30010698 0.79 CA1 (0.55) L3MBTL1POLBHTTNPSR1SMN1; SMN2
SCHEMBL343860 0.79 CA1 (0.55) L3MBTL1POLBHTTNPSR1SMN1; SMN2
SCHEMBL3929903 0.79 CA1 (0.55) L3MBTL1POLBHTTNPSR1SMN1; SMN2
SCHEMBL9787268 0.78 POLB (0.71) L3MBTL1POLBHTTNPSR1NPC1

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
EP-1747224-A1 COMPLEXES OF RUTHENIUM WITH 2-(AMINOMETHYL)PYRIDINES AND PHOSPHINES, THEIR PREPARATION AND USE AS CATALYSTS Universita' Degli Studi di Udine (IT) 2007-01-31 — — EP disclosed
WO-2005105819-A1 COMPLEXES OF RUTHENIUM WITH 2-(AMINOMETHYL)PYRIDINES AND PHOSPHINES, THEIR PREPARATION AND USE AS CATALYSTS UNIVERSITA' DEGLI STUDI DI UDINE (IT) 2005-11-10 — — WO disclosed
Send feedback