SCHEMBL17022221

SCHEMBL17022221

Cc1ccc(OCc2cc(-c3cccc(Oc4ccccc4)c3)no2)cc1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.67
NPC1 O15118 7/20 0.67
L3MBTL1 Q9Y468 6/20 0.67
SMN1; SMN2 Q16637 5/20 0.67
TDP1 Q9NUW8 3/20 0.67
MAPT P10636 3/20 0.62
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
POLB P06746 2/20 0.55
CASP3 P42574 2/20 0.54
SENP8 Q96LD8 2/20 0.54
SENP7 Q9BQF6 2/20 0.54
SENP6 Q9GZR1 2/20 0.54
FFAR4 Q5NUL3 1/20 0.46
HPGD P15428 1/20 0.46
STAT3 P40763 1/20 0.46
STAT1 P42224 1/20 0.46
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45

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
SCHEMBL17022219 0.89 RAB9A (0.81) RAB9ANPC1L3MBTL1SMN1; SMN2TDP1
SCHEMBL17019496 0.87 RAB9A (0.63) RAB9ANPC1L3MBTL1SMN1; SMN2TDP1
SCHEMBL9382780 0.82 RAB9A (0.94) RAB9ANPC1L3MBTL1SMN1; SMN2TDP1
SCHEMBL9500113 0.78 MEN1 (0.65) RAB9ANPC1L3MBTL1SMN1; SMN2TDP1
SCHEMBL15503841 0.77 RAB9A (1.00) RAB9ANPC1L3MBTL1SMN1; SMN2TDP1
SCHEMBL18031157 0.77 RAB9A (0.64) RAB9ANPC1L3MBTL1SMN1; SMN2TDP1
SCHEMBL17022218 0.76 L3MBTL1 (0.81) RAB9ANPC1L3MBTL1SMN1; SMN2TDP1
SCHEMBL17019495 0.75 RAB9A (0.74) RAB9ANPC1L3MBTL1SMN1; SMN2TDP1
SCHEMBL18031163 0.74 RAB9A (0.83) RAB9ANPC1L3MBTL1SMN1; SMN2TDP1
SCHEMBL6773869 0.73 RAB9A (0.49) RAB9ANPC1L3MBTL1SMN1; SMN2TDP1

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-20150233926-A1 METHOD FOR SPECIFICALLY DETECTING A MATRIX METALLOPROTEINASE (MMP) WHICH IS ONLY OF INTEREST IN THE ACTIVE FORM THEREOF, IN A SAMPLE COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2015-08-20 US disclosed