SCHEMBL8661489

SCHEMBL8661489

COc1c(Cc2ccccc2)cc2[nH]c(C)c(CCON=CCCO)c2c1Cl

nearest known ligand 0.31

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KRAS P01116 1/20 0.31
MAPT P10636 1/20 0.31
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
HSP90AA1 P07900 1/20 0.30
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL8645276 0.94 HSP90AA1 (0.33) KRASMAPTTUBB4ATUBBTUBA3C
SCHEMBL8642034 0.92 KRAS (0.32) KRASTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL8649362 0.90 ALDH1A1 (0.32) KRASTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL8643266 0.89 KRAS (0.32) KRASTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL8649727 0.88 KRAS (0.32) KRASMAPTTUBB4ATUBBTUBA3C
SCHEMBL8645256 0.87 ALDH1A1 (0.31) KRASTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL8646870 0.87 HSP90AA1 (0.34) KRASMAPTTUBB4ATUBBTUBA3C
SCHEMBL8645270 0.83 KRAS (0.30) KRASTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL8646579 0.81 TUBB4A (0.31) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8643258 0.80 KRAS (0.31) KRASTUBB4ATUBBTUBA3CTUBA1B

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