SCHEMBL8645255

SCHEMBL8645255

COc1ccc2[nH]c(C)c(CCON=CCOc3ccccc3)c2c1Cc1ccc(Cl)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 3/20 0.35
TUBB P07437 3/20 0.35
TUBA3C P0DPH7 3/20 0.35
TUBA1B P68363 3/20 0.35
TUBA4A P68366 3/20 0.35
TUBB4B P68371 3/20 0.35
TUBB3 Q13509 3/20 0.35
TUBB2A Q13885 3/20 0.35
TUBB8 Q3ZCM7 3/20 0.35
TUBA3E Q6PEY2 3/20 0.35
TUBA1A Q71U36 3/20 0.35
TUBA1C Q9BQE3 3/20 0.35
TUBB6 Q9BUF5 3/20 0.35
TUBB2B Q9BVA1 3/20 0.35
TUBB1 Q9H4B7 3/20 0.35
SLC2A1 P11166 1/20 0.34
PTPN5 P54829 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
LMNA P02545 3/20 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
SCHEMBL8649358 0.92 TUBB4A (0.34) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8643263 0.89 SLC2A1 (0.35) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8893019 0.88 PTGS2 (0.35) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8645272 0.85 LMNA (0.36) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8642031 0.84 SLC2A1 (0.35) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8642541 0.84 PTPN5 (0.37) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8661485 0.84 LMNA (0.35) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8646867 0.82 PTPN5 (0.38) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8649724 0.82 SLC2A1 (0.37) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8891536 0.80 PTGS2 (0.34) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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 3 patents. 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
US-5756531-A ANTIALLERGENS; ANTIINFLAMMATORY AGENTS ABBOTT LABORATORIES (US) 1998-05-26 US disclosed
WO-1997041100-A1 IMINOXY DERIVATIVES OF INDOLE AND INDENE COMPOUNDS AS INHIBITORS OF PROSTAGLANDIN BIOSYNTHESIS ABBOTT LABORATORIES (US) 1997-11-06 WO disclosed