SCHEMBL6871502

SCHEMBL6871502

[CH2]Oc1ccc2oc(COCC(F)(F)F)cc2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.37
PIM1 P11309 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
AGXT P21549 1/20 0.35
MAPK1 P28482 2/20 0.34
MAOB P27338 1/20 0.34
FFAR4 Q5NUL3 4/20 0.33
ALDH1A1 P00352 4/20 0.33
FFAR1 O14842 2/20 0.33
CYP2C9 P11712 2/20 0.33
CACNA1C Q13936 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL6871507 0.86 MAOB (0.47) HDAC6MAPK1MAOBALDH1A1
SCHEMBL6871886 0.81 AGXT (0.37) HDAC6HDAC3HDAC1HDAC2HDAC8
SCHEMBL6871522 0.74 LOXL2 (0.53) PIM1AGXT
SCHEMBL6870685 0.74 HDAC6 (0.40) HDAC6PIM1HDAC3HDAC1HDAC2
SCHEMBL6871889 0.68 MAOB (0.49) MAOBALDH1A1SMN1; SMN2
SCHEMBL2056160 0.65 PIM1 (0.55) HDAC6PIM1MAOBFFAR4FFAR1
SCHEMBL2792646 0.65 PIM1 (0.55) HDAC6PIM1HDAC3HDAC1HDAC2
SCHEMBL7931593 0.64 MAOB (0.36) HDAC6AGXTMAOBMAOA
SCHEMBL15201815 0.62 ALOX5 (0.51) MAOBMEN1KMT2AMAOA
SCHEMBL7931595 0.62 HDAC6 (0.38) HDAC6HDAC3HDAC1HDAC2HDAC8

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