SCHEMBL8891536

SCHEMBL8891536

COc1ccc2[nH]c(C)c(CCO/N=C/CCOc3ccccc3)c2c1Cc1ccccc1Cl

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TUBB4A P04350 1/20 0.31
TUBB P07437 1/20 0.31
TUBA3C P0DPH7 1/20 0.31
TUBA1B P68363 1/20 0.31
TUBA4A P68366 1/20 0.31
TUBB4B P68371 1/20 0.31
TUBB3 Q13509 1/20 0.31
TUBB2A Q13885 1/20 0.31
TUBB8 Q3ZCM7 1/20 0.31
TUBA3E Q6PEY2 1/20 0.31
TUBA1A Q71U36 1/20 0.31
TUBA1C Q9BQE3 1/20 0.31
TUBB6 Q9BUF5 1/20 0.31
TUBB2B Q9BVA1 1/20 0.31
TUBB1 Q9H4B7 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31

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
SCHEMBL8893019 0.92 PTGS2 (0.35) PTGS2ALDH1A1LMNATUBB4ATUBB
SCHEMBL8892354 0.91 PTGS2 (0.36) PTGS2ALDH1A1LMNATUBB4ATUBB
SCHEMBL8902224 0.89 PTGS2 (0.36) PTGS2ALDH1A1LMNATUBB4ATUBB
SCHEMBL8649358 0.88 TUBB4A (0.34) PTGS2ALDH1A1LMNATUBB4ATUBB
SCHEMBL8891216 0.87 PTGS2 (0.37) PTGS2ALDH1A1LMNATUBB4ATUBB
SCHEMBL8890671 0.80 PTGS2 (0.35) PTGS2ALDH1A1PDE3BPDE3ASMN1; SMN2
SCHEMBL8645255 0.80 TUBB4A (0.35) PTGS2ALDH1A1LMNATUBB4ATUBB
SCHEMBL8893093 0.77 PTGS2 (0.35) PTGS2ALDH1A1PDE3BPDE3ASMN1; SMN2
SCHEMBL8892692 0.77 PTGS2 (0.35) PTGS2PDE3BPDE3ASMN1; SMN2
SCHEMBL8671630 0.77 PTGS2 (0.42) PTGS2ALDH1A1LMNATUBB4ATUBB

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-1997041100-A1 IMINOXY DERIVATIVES OF INDOLE AND INDENE COMPOUNDS AS INHIBITORS OF PROSTAGLANDIN BIOSYNTHESIS ABBOTT LABORATORIES (US) 1997-11-06 WO claimed