SCHEMBL8675619

SCHEMBL8675619

COc1ccc2[nH]c(C)c(CC(C)O)c2c1Cc1ccc(Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.39
PTGS2 P35354 2/20 0.39
PTPN5 P54829 1/20 0.37
SLC2A1 P11166 1/20 0.37
LMNA P02545 4/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
MAPK1 P28482 2/20 0.36
TUBB4A P04350 2/20 0.35
TUBB P07437 2/20 0.35
TUBA3C P0DPH7 2/20 0.35
TUBA1B P68363 2/20 0.35
TUBA4A P68366 2/20 0.35
TUBB4B P68371 2/20 0.35
TUBB3 Q13509 2/20 0.35
TUBB2A Q13885 2/20 0.35
TUBB8 Q3ZCM7 2/20 0.35
TUBA3E Q6PEY2 2/20 0.35
TUBA1A Q71U36 2/20 0.35
TUBA1C Q9BQE3 2/20 0.35

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
SCHEMBL8671632 0.84 PTGS1 (0.40) PTGS1PTGS2PTPN5SLC2A1LMNA
SCHEMBL6013487 0.82 AKR1C2 (0.46) PTGS1PTGS2PTPN5SLC2A1LMNA
SCHEMBL6589367 0.81 PTGS1 (0.40) PTGS1PTGS2PTPN5SLC2A1LMNA
SCHEMBL8668568 0.81 PTGS1 (0.42) PTGS1PTGS2PTPN5SLC2A1LMNA
SCHEMBL8891932 0.80 PTGS1 (0.39) PTGS1PTGS2PTPN5SLC2A1LMNA
SCHEMBL9094851 0.79 PTPN5 (0.40) PTGS1PTGS2PTPN5SLC2A1LMNA
SCHEMBL8891252 0.78 HTT (0.43) PTGS1PTGS2PTPN5SLC2A1LMNA
SCHEMBL5503081 0.76 PTPN5 (0.41) PTGS1PTGS2PTPN5LMNATUBB4A
SCHEMBL8645272 0.76 LMNA (0.36) PTGS1PTGS2PTPN5SLC2A1LMNA
SCHEMBL8672196 0.74 PTGDR (0.39) PTGS1PTGS2PTPN5SLC2A1LMNA

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-5750558-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS ABBOTT LABORATORIES (US) 1998-05-12 US disclosed