SCHEMBL17019495

SCHEMBL17019495

CC(C)c1ccc(OCc2cc(-c3ccccc3)no2)cc1

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.74
L3MBTL1 Q9Y468 6/20 0.74
NPC1 O15118 6/20 0.74
SMN1; SMN2 Q16637 5/20 0.74
TDP1 Q9NUW8 3/20 0.74
MAPT P10636 4/20 0.68
POLB P06746 2/20 0.67
MEN1 O00255 1/20 0.66
KMT2A Q03164 1/20 0.66
HPGD P15428 1/20 0.55
STAT3 P40763 1/20 0.55
STAT1 P42224 1/20 0.55
CASP3 P42574 1/20 0.55
SENP8 Q96LD8 1/20 0.55
SENP7 Q9BQF6 1/20 0.55
SENP6 Q9GZR1 1/20 0.55
NOTUM Q6P988 2/20 0.49

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
SCHEMBL17019496 0.90 RAB9A (0.63) RAB9AL3MBTL1NPC1SMN1; SMN2TDP1
SCHEMBL9382780 0.89 RAB9A (0.94) RAB9AL3MBTL1NPC1SMN1; SMN2TDP1
SCHEMBL17019493 0.88 L3MBTL1 (0.77) RAB9AL3MBTL1NPC1SMN1; SMN2TDP1
SCHEMBL18031162 0.88 L3MBTL1 (0.62) RAB9AL3MBTL1NPC1SMN1; SMN2TDP1
SCHEMBL17022219 0.85 RAB9A (0.81) RAB9AL3MBTL1NPC1SMN1; SMN2TDP1
SCHEMBL13140576 0.85 RAB9A (0.63) RAB9AL3MBTL1NPC1SMN1; SMN2TDP1
SCHEMBL15503841 0.81 RAB9A (1.00) RAB9AL3MBTL1NPC1SMN1; SMN2TDP1
SCHEMBL6741453 0.80 RAB9A (0.81) RAB9AL3MBTL1NPC1SMN1; SMN2TDP1
SCHEMBL13118276 0.78 FFAR1 (0.64) RAB9AL3MBTL1NPC1SMN1; SMN2TDP1
SCHEMBL18031163 0.78 RAB9A (0.83) RAB9AL3MBTL1NPC1SMN1; 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