SCHEMBL6863046

SCHEMBL6863046

Fc1cc(I)cc(F)c1Oc1ccc2c(c1)OCO2

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.51
ALDH1A1 P00352 1/20 0.51
MAOB P27338 8/20 0.42
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 2/20 0.40
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 1/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
MAOA P21397 4/20 0.39
GAA P10253 1/20 0.38
NOS2 P35228 1/20 0.37
CYP3A4 P08684 1/20 0.37
FAAH O00519 2/20 0.36

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
SCHEMBL779077 0.84 ALDH1A1 (0.51) MAPK1ALDH1A1MAOBRAB9ANPC1
SCHEMBL15597020 0.82 MAPK1 (0.49) MAPK1ALDH1A1MAOBRAB9ANPC1
SCHEMBL11990102 0.81 MAPK1 (0.48) MAPK1ALDH1A1MAOBRAB9ANPC1
SCHEMBL11989287 0.81 ALDH1A1 (0.48) MAPK1ALDH1A1MAOBRAB9ANPC1
SCHEMBL13803829 0.81 ALDH1A1 (0.51) MAPK1ALDH1A1MAOBRAB9ANPC1
SCHEMBL14743537 0.78 ALDH1A1 (0.69) MAPK1ALDH1A1MAOBRAB9ANPC1
SCHEMBL6165864 0.77 ALDH1A1 (0.78) MAPK1ALDH1A1MAOBRAB9ANPC1
SCHEMBL13604916 0.76 ALDH1A1 (0.43) MAPK1ALDH1A1MAOBRAB9ANPC1
SCHEMBL14919976 0.73 MAPK1 (0.49) MAPK1ALDH1A1MAOBRAB9ANPC1
SCHEMBL14959582 0.72 APP (0.40) ALDH1A1KMT2ALMNAMEN1HPGD

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
WO-2014028334-A1 SELECTIVE MMP INHIBITORS SYMPHONY EVOLUTION, INC. (US) 2014-02-20 WO disclosed
WO-2011041545-A1 METHODS OF TREATING ANEURYSMAL DILATATION, BLOOD VESSEL WALL WEAKNESS AND SPECIFICALLY ABDOMINAL AORTIC AND THORACIC ANEURYSM USING MATRIX METALLOPROTEASE-2 INHIBITORS SYMPHONY EVOLUTION, INC. (US) 2011-04-07 WO disclosed