SCHEMBL13599718

SCHEMBL13599718

CCC(O)COc1ccc(C2(c3ccc(OC)cc3)c3ccccc3-c3ccccc32)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.50
▸ POLB P06746 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ ALDH1A1 P00352 4/20 0.44
▸ KDM4E B2RXH2 1/20 0.41
▸ MAPK1 P28482 3/20 0.41
▸ CASR P41180 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ PDK2 Q15119 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ DRD4 P21917 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ GPR55 Q9Y2T6 1/20 0.39

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
SCHEMBL12922750 0.91 KMT2A (0.47) KMT2APOLBSMN1; SMN2ALDH1A1KDM4E
SCHEMBL13599727 0.84 KMT2A (0.39) KMT2APOLBSMN1; SMN2ALDH1A1PDK2
SCHEMBL14546243 0.84 MAPT (0.45) KMT2APOLBSMN1; SMN2KDM4EL3MBTL1
SCHEMBL30536503 0.84 PDK2 (0.44) POLBSMN1; SMN2KDM4EMAPK1PDK2
SCHEMBL21858090 0.84 PDK2 (0.44) POLBSMN1; SMN2KDM4EMAPK1PDK2
SCHEMBL13827290 0.82 KDM4E (0.44) KMT2APOLBSMN1; SMN2KDM4EMAPK1
SCHEMBL9926775 0.82 KDM4E (0.44) KMT2APOLBSMN1; SMN2KDM4EMAPK1
SCHEMBL14601353 0.82 MAPT (0.46) KMT2ASMN1; SMN2ALDH1A1KDM4EMAPK1
SCHEMBL13827214 0.81 AR (0.45) KMT2APOLBSMN1; SMN2ALDH1A1KDM4E
SCHEMBL13827216 0.81 AR (0.45) KMT2APOLBSMN1; SMN2ALDH1A1KDM4E

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
US-20090321015-A1 ADHESIVE COMPOSITION COMPRISING POLYHYDROXYETHER AND ORGANIC PARTICLES, AND METHOD FOR CONNECTING CIRCUIT BOARD USING THE SAME 3M INNOVATIVE PROPERTIES COMPANY 2009-12-31 — — US disclosed
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