SCHEMBL7225909

SCHEMBL7225909

COc1c(Br)cc(OC(C)=O)cc1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TUBB4A P04350 1/20 0.46
TUBB P07437 1/20 0.46
TUBA3C P0DPH7 1/20 0.46
TUBA1B P68363 1/20 0.46
TUBA4A P68366 1/20 0.46
TUBB4B P68371 1/20 0.46
TUBB3 Q13509 1/20 0.46
TUBB2A Q13885 1/20 0.46
TUBB8 Q3ZCM7 1/20 0.46
TUBA3E Q6PEY2 1/20 0.46
TUBA1A Q71U36 1/20 0.46
TUBA1C Q9BQE3 1/20 0.46
TUBB6 Q9BUF5 1/20 0.46
TUBB2B Q9BVA1 1/20 0.46
TUBB1 Q9H4B7 1/20 0.46
TPMT P51580 1/20 0.46
BACE1 P56817 3/20 0.45

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
SCHEMBL13864993 0.89 BACE1 (0.50) MAPTHSD17B10TUBB4ATUBBTUBA3C
SCHEMBL7112160 0.82 BACE1 (0.52) MAPTHPGDHSD17B10TUBB4ATUBB
SCHEMBL28751605 0.81 TSHR (0.47) HSD17B10TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL7114628 0.81 CYP3A4 (0.47) MAPTHPGDHSD17B10BACE1TSHR
SCHEMBL736176 0.79 TUBB4A (0.63) MAPTHPGDHSD17B10TUBB4ATUBB
SCHEMBL8081555 0.79 TDP1 (0.58) MAPTHPGDTUBB4ATUBBTUBA3C
SCHEMBL14580012 0.78 HPGD (0.44) MAPTHPGDHSD17B10TPMTTSHR
SCHEMBL14175572 0.78 MAPT (0.43) MAPTHPGDHSD17B10TUBB4ATUBB
SCHEMBL919577 0.78 ALDH1A1 (0.55) MAPTHPGDBACE1ALOX5LMNA
SCHEMBL3238033 0.78 CYP4F2 (0.47) MAPTHPGDTUBB4ATUBBTUBA3C

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
US-6596734-B1 Method for stimulating, regulating and modulating metabolism of fats in adipose tissue in mammals, comprising administering to a mammal an effective amount of a beta 3- adrenoreceptor agonist MOLECULAR DESIGN INTERNATIONAL, INC. 2003-07-22 US disclosed