SCHEMBL9521679

SCHEMBL9521679

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

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.32
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32
TUBB4B P68371 1/20 0.32
TUBB3 Q13509 1/20 0.32
TUBB2A Q13885 1/20 0.32
TUBB8 Q3ZCM7 1/20 0.32
TUBA3E Q6PEY2 1/20 0.32
TUBA1A Q71U36 1/20 0.32
TUBA1C Q9BQE3 1/20 0.32
TUBB6 Q9BUF5 1/20 0.32
TUBB2B Q9BVA1 1/20 0.32
TUBB1 Q9H4B7 1/20 0.32
LMNA P02545 3/20 0.31
ALOX5 P09917 1/20 0.30
ALOX5AP P20292 1/20 0.30
MEN1 O00255 3/20 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
SCHEMBL9387684 0.83 ALOX5 (0.38) METTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL9521164 0.81 ALOX5AP (0.50) ALOX5ALOX5AP
SCHEMBL9387633 0.73 ALOX5AP (0.51) ALOX5ALOX5AP
SCHEMBL9391725 0.73 ALOX5AP (0.49) ALOX5ALOX5AP
SCHEMBL9388576 0.72 ALOX5AP (0.39) ALOX5ALOX5APMEN1KMT2ARECQL
SCHEMBL8743858 0.71 PTGES (0.40) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9388581 0.71 ALOX5AP (0.52) ALOX5ALOX5AP
SCHEMBL9391734 0.71 ALOX5AP (0.51) ALOX5ALOX5AP
SCHEMBL9387618 0.71 ALOX5 (0.41) LMNAALOX5ALOX5APMEN1KMT2A
SCHEMBL9387682 0.70 ALOX5AP (0.52) ALOX5ALOX5AP

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0544819-A4 INDOLE DERIVATIVES WHICH INHIBIT LEUKOTRIENE BIOSYNTHESIS 1993-10-20 EP claimed
EP-0544819-A1 INDOLE DERIVATIVES WHICH INHIBIT LEUKOTRIENE BIOSYNTHESIS. ABBOTT LAB (US) 1993-06-09 EP claimed