SCHEMBL5723065

SCHEMBL5723065

COc1cccc2cc(C(=O)c3ccccc3)oc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 1.00
NPC1 O15118 6/20 1.00
KMT2A Q03164 6/20 1.00
MEN1 O00255 5/20 1.00
SMN1; SMN2 Q16637 3/20 1.00
ALDH1A1 P00352 3/20 0.80
MAPT P10636 3/20 0.80
HTT P42858 2/20 0.80
L3MBTL1 Q9Y468 1/20 0.71
LMNA P02545 2/20 0.69
RECQL P46063 1/20 0.69
KDM4E B2RXH2 2/20 0.67
CA12 O43570 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA3 P07451 1/20 0.57
CA4 P22748 1/20 0.57
CA6 P23280 1/20 0.57
CA5A P35218 1/20 0.57
CA7 P43166 1/20 0.57

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
SCHEMBL16581094 0.88 RAB9A (0.79) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL7050574 0.88 RAB9A (0.78) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL11107533 0.88 RAB9A (0.79) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL978037 0.85 LMNA (0.77) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL5584565 0.84 RAB9A (0.72) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL2034208 0.82 CA12 (0.76) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL219813 0.82 LMNA (1.00) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL5584678 0.81 LMNA (0.75) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL3614366 0.81 LMNA (0.75) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL4209809 0.81 LMNA (0.75) RAB9ANPC1KMT2AMEN1SMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0771794-B1 OXYGEN-CONTAINING HETEROCYCLIC COMPOUNDS KYOWA HAKKO KOGYO KK (JP) 2006-05-03 EP disclosed
US-6716987-B1 PHOSPHODIESTERASE IV INHIBITORS KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-04-06 US disclosed
US-6514996-B2 Derivatives of benzofuran or benzodioxole KYOWA HAKKO KOGYO CO., LTD. (JP) 2003-02-04 US disclosed
EP-0771794-A1 OXYGEN-CONTAINING HETEROCYCLIC COMPOUNDS KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-05-07 EP disclosed