SCHEMBL6871507

SCHEMBL6871507

COc1ccc2oc(COCC(F)(F)F)cc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.47
CYP2A6 P11509 1/20 0.43
CA2 P00918 3/20 0.43
APP P05067 4/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA9 Q16790 2/20 0.41
CA3 P07451 1/20 0.41
HPGD P15428 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40
ADRA2A P08913 1/20 0.40

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
SCHEMBL6871502 0.86 HDAC6 (0.37) MAOBALDH1A1HDAC6MAPK1
SCHEMBL6871889 0.82 MAOB (0.49) MAOBCYP2A6CA2APPKDM4E
SCHEMBL1287525 0.76 CYP2A6 (0.53) MAOBCYP2A6CA2APPKDM4E
SCHEMBL28093784 0.74 CYP2A6 (0.49) MAOBCYP2A6CA2APPKDM4E
SCHEMBL13076441 0.74 CYP2A6 (0.51) MAOBCYP2A6CA2APPKDM4E
SCHEMBL6871528 0.74 CA2 (0.54) CYP2A6CA2APPKDM4EALDH1A1
SCHEMBL1450985 0.74 CYP2A6 (0.51) MAOBCYP2A6CA2APPKDM4E
SCHEMBL119314 0.74 CYP2A6 (0.51) MAOBCYP2A6CA2APPKDM4E
SCHEMBL119001 0.74 CYP2A6 (0.51) MAOBCYP2A6CA2APPKDM4E
SCHEMBL119522 0.72 NPC1 (0.48) MAOBCYP2A6CA2KDM4EALDH1A1

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-1149094-B1 4-(AMINOALKOXY)BENZOFURANS AS N-MYRISTOYLTRANSFERASE INHIBITORS BASILEA PHARMACEUTICA AG (CH) 2004-04-21 EP disclosed
US-6376491-B1 BENZOFURAN DERIVATIVES FOR TREATMENT OR PREVENTION OF MYCOSIS IN MAMMALS BASILEA PHARMACEUTICA AG (CH) 2002-04-23 US disclosed
EP-1149094-A2 4-(AMINOALKOXY)BENZOFURANS AS N-MYRISTOYLTRANSFERASE INHIBITORS Basilea Pharmaceutica AG (CH) 2001-10-31 EP disclosed
WO-2000037464-A2 4-(AMINOALKOXY)BENZOFURANS AS N-MYRISTOYLTRANSFERASE INHIBITORS BASILEA PHARMACEUTICA AG (CH) 2000-06-29 WO disclosed