SCHEMBL5207946

SCHEMBL5207946

CC(C)(C)OC(=O)C1=Cc2cc(Br)ccc2OC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.49
TP53 P04637 3/20 0.49
LMNA P02545 2/20 0.49
ALOX5 P09917 3/20 0.45
MAOB P27338 4/20 0.45
ALDH1A1 P00352 3/20 0.40
SHMT2 P34897 1/20 0.40
NR1H4 Q96RI1 1/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
HTT P42858 2/20 0.39
HSP90AA1 P07900 1/20 0.37
GAA P10253 1/20 0.37
KDM4E B2RXH2 2/20 0.37
CA12 O43570 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL17594260 0.85 NR1H4 (0.44) MAPTLMNAALOX5MAOBALDH1A1
SCHEMBL28684213 0.85 ALDH1A1 (0.42) MAPTLMNAALOX5MAOBALDH1A1
SCHEMBL1758715 0.85 MAPT (0.55) MAPTTP53LMNAALOX5MAOB
SCHEMBL5210235 0.81 CCR5 (0.48) ALOX5MAOBALDH1A1SHMT2MEN1
SCHEMBL22992559 0.81 ALOX5 (0.57) MAPTTP53LMNAALOX5MAOB
SCHEMBL8545651 0.80 MAPT (0.55) MAPTTP53LMNAALOX5MAOB
SCHEMBL416748 0.79 MAPT (0.56) MAPTTP53LMNAALOX5MAOB
SCHEMBL21982545 0.76 ALDH1A1 (0.41) LMNAALOX5MAOBALDH1A1SHMT2
SCHEMBL9731356 0.76 ALOX5 (0.69) MAPTALOX5MAOBALDH1A1NR1H4
SCHEMBL17594253 0.74 SHMT2 (0.41) MAPTTP53LMNAALOX5MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1040103-B1 ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2007-03-14 EP disclosed
US-6413947-B1 Anilide derivative, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-07-02 US disclosed
US-6268354-B1 Pharmaceutical composition for antagonizing CCR5 comprising anilide derivative TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-07-31 US disclosed
US-6172061-B1 AIDS THERAPY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-01-09 US disclosed
US-6166006-A Anilide derivative, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-12-26 US disclosed
EP-1039899-A2 PHARMACEUTICAL COMPOSITION FOR ANTAGONIZING CCR5 COMPRISING ANILIDE DERIVATIVE Takeda Chemical Industries, Ltd. (JP) 2000-10-04 EP disclosed
EP-1040103-A1 ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2000-10-04 EP disclosed
WO-1999032100-A2 PHARMACEUTICAL COMPOSITION FOR ANTAGONIZING CCR5 COMPRISING ANILIDE DERIVATIVE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-01 WO disclosed
WO-1999032468-A1 ANILIDE DERIVATIVE, PRODUCTION AND USE THEREOF TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-01 WO disclosed