SCHEMBL9217686

SCHEMBL9217686

COC(=O)C(C)(C)Cc1[nH]c2ccc(OC)cc2c1SC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 5/20 0.44
TUBB P07437 5/20 0.44
TUBA3C P0DPH7 5/20 0.44
TUBA1B P68363 5/20 0.44
TUBA4A P68366 5/20 0.44
TUBB4B P68371 5/20 0.44
TUBB3 Q13509 5/20 0.44
TUBB2A Q13885 5/20 0.44
TUBB8 Q3ZCM7 5/20 0.44
TUBA3E Q6PEY2 5/20 0.44
TUBA1A Q71U36 5/20 0.44
TUBA1C Q9BQE3 5/20 0.44
TUBB6 Q9BUF5 5/20 0.44
TUBB2B Q9BVA1 5/20 0.44
TUBB1 Q9H4B7 5/20 0.44
HSD17B10 Q99714 5/20 0.44
USP2 O75604 1/20 0.44
MAPK1 P28482 1/20 0.44
MTNR1B P49286 7/20 0.42
MTNR1A P48039 6/20 0.42

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
SCHEMBL9220993 0.91 MTNR1A (0.44) HSD17B10USP2MTNR1BMTNR1AKDM4E
SCHEMBL12209489 0.82 AKR1C2 (0.55) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL13698343 0.80 HTR6 (0.52) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9451736 0.80 PTGES2 (0.34) HSD17B10MAPK1MTNR1BMTNR1AKDM4E
SCHEMBL12510343 0.79 ALDH1A1 (0.45) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL1193617 0.79 ALDH1A1 (0.50) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9581350 0.75 PTGES (0.40) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL9581649 0.74 ALOX5 (0.38) HSD17B10USP2MAPK1KDM4EALDH1A1
SCHEMBL12510346 0.74 KDM4E (0.33) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9150374 0.74 ALDH1A1 (0.68) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0419049-B1 (Quinolin-2-ylmethoxy) indoles as inhibitors of the biosynthesis of leukotrienes MERCK FROSST CANADA INC (CA) 1995-04-12 EP disclosed
US-5380850-A Quinoline hydrazine intermediates MERCK FROSST CANADA, INC. (CA) 1995-01-10 US disclosed
WO-1994013293-A2 (QUINOLIN-2-YLMETHOXY)INDOLES AS INHIBITORS OF THE BIOSYNTHESIS OF LEUKOTRIENES MERCK FROSST CANADA INC. (CA) 1994-06-23 WO disclosed
US-5272145-A (Quinolin-2-ylmethoxy)indoles as inhibitors of the biosynthesis of leukotrienes MERCK FROSST CANADA, INC. (CA) 1993-12-21 US disclosed
US-5204344-A (Quinolin-2-ylmethoxy)indoles as inhibitors of the biosynthesis of leukotrienes MERCK FROSST CANADA, INC. (CA) 1993-04-20 US disclosed
US-5202321-A Antihistamine, antiallergens, antiinflammatory agents MERCK FROSST CANADA, INC. (CA) 1993-04-13 US disclosed
EP-0518426-A1 Thiopyrano (2,3,4-c,d) indoles as inhibitors of leukotriene biosynthesis MERCK FROSST CANADA INC. (CA) 1992-12-16 EP disclosed
EP-0419049-A1 (Quinolin-2-ylmethoxy) indoles as inhibitors of the biosynthesis of leukotrienes MERCK FROSST CANADA INC. (CA) 1991-03-27 EP disclosed