SCHEMBL7752210

SCHEMBL7752210

CCC(Br)c1cc(OC)c(OC)c(OC)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.47
ACHE P22303 1/20 0.46
MAPT P10636 4/20 0.45
CYP3A4 P08684 1/20 0.45
CA9 Q16790 1/20 0.45
MAPK1 P28482 2/20 0.44
TUBB1 Q9H4B7 4/20 0.42
TUBB4A P04350 3/20 0.42
TUBB P07437 3/20 0.42
TUBA3C P0DPH7 3/20 0.42
TUBA1B P68363 3/20 0.42
TUBA4A P68366 3/20 0.42
TUBB4B P68371 3/20 0.42
TUBB3 Q13509 3/20 0.42
TUBB2A Q13885 3/20 0.42
TUBB8 Q3ZCM7 3/20 0.42
TUBA3E Q6PEY2 3/20 0.42
TUBA1A Q71U36 3/20 0.42
TUBA1C Q9BQE3 3/20 0.42

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
SCHEMBL9370525 0.84 MAPT (0.47) PTGS2L3MBTL1ACHEMAPTCYP3A4
SCHEMBL4304719 0.78 ACHE (0.50) PTGS2L3MBTL1ACHEMAPTCYP3A4
SCHEMBL10865232 0.78 PPARG (0.51) L3MBTL1ACHEMAPTCA9MEN1
SCHEMBL18925030 0.78 PTGS2 (0.50) PTGS2L3MBTL1ACHEMAPTCYP3A4
SCHEMBL4098658 0.77 PTGS2 (0.54) PTGS2L3MBTL1ACHEMAPTCYP3A4
SCHEMBL10110894 0.77 PTGS2 (0.54) PTGS2L3MBTL1ACHEMAPTCYP3A4
SCHEMBL2618698 0.77 PTGS2 (0.54) PTGS2L3MBTL1ACHEMAPTCYP3A4
SCHEMBL10415398 0.76 PPARG (0.50) L3MBTL1ACHEMAPTCA9MEN1
SCHEMBL17472292 0.75 PTGS2 (0.52) PTGS2L3MBTL1ACHEMAPTCYP3A4
SCHEMBL12659351 0.75 PTGS2 (0.52) PTGS2L3MBTL1ACHEMAPTCYP3A4

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
WO-2001042245-A1 NEUROTROPHIC BICYCLIC DIAMIDES BRISTOL-MYERS SQUIBB COMPANY (US) 2001-06-14 WO disclosed